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Inherent Properties, Identifiers and References
ChemSpider ID: 864
Empirical Formula: CH4O
Molecular Weight: 32.0419
Nominal Mass: 32 Da
Average Mass: 32.0419 Da
Monoisotopic Mass: 32.026215 Da
Systematic Name: methanol
SMILES: OC
InChI: InChI=1/CH4O/c1-2/h2H,1H3
InChIKey: OKKJLVBELUTLKV-UHFFFAOYAX
Std. InChI: InChI=1S/CH4O/c1-2/h2H,1H3
Std. InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N
(Details...) Wikipedia Article(s)
Methanol, also known as methyl alcohol, wood alcohol, wood naphtha or wood spirits, is a chemical with formula CH3OH (often abbreviated MeOH). It is the simplest alcohol, and is a light, volatile, colorless, flammable, liquid with a distinctive odor that is very similar to but slightly sweeter than ethanol (drinking alcohol). At room temperature it is a polar liquid and is used as an antifreeze, solvent, fuel, and as a denaturant for ethanol. It is also used for producing biodiesel via transesterification reaction. Methanol is produced naturally in the anaerobic metabolism of many varieties of bacteria, and is ubiquitous in the environment. As a result, there is a small fraction of methanol vapor in the atmosphere. Over the course of several days, atmospheric methanol is oxidized with the help of sunlight to carbon dioxide and water. Methanol burns in air forming carbon dioxide and water: : 2 CH3OH + 3 O2 → 2 CO2 + 4 H2O A methanol flame is almost colorless in bright sunlight. Because of its toxic properties, methanol is frequently used as a denaturant additive for ethanol manufactured for industrial uses — this addition of methanol exempts industrial ethanol from liquor excise taxation. Methanol is often called wood alcohol because it was once produced chiefly as a byproduct of the destructive distillation of wood. Read more... or Edit at Wikipedia...
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User Data

  • experimental physchem properties
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98C
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98
    • Melting Point: -98 C
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 64.7
    • Boiling Point: 147F
    • Boiling Point: 64.7 C
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 11(52F)
    • Flash Point: 52F
    • Flash Point: 11 C
    • Freezing Point: -144F
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.791
    • Specific Gravity: 0.79
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • Refraction Index: 1.3290
    • logP: -0.77
    • Solubility: Miscible
    • Ionization Potential: 10.84 eV
    • Vapor Pressure: 96 mmHg
  • miscellaneous
    • Appearance: Colorless liquid with a characteristic pungent odor.
    • Appearance: colourless liquid with a characteristic odour
    • Applications: In nucleic acid and peptide synthesis
    • Applications: Suitable for environmental, pesticide, and GC analysis
    • Stability: Stable. May react violently with acids, acid chlorides, acid anhydrides,oxidizing agents, reducing agents and alkali metals. Protect from moisture. Highly flammable.
    • Toxicity: ORL-RAT LD50 5628 mg kg-1 , IPR-RBT LD50 1826 mg kg-1, IPR-RAT LD50 9540 mg kg-1, ORL-MUS LD50 7300 mg kg-1
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: DANGER: FLAMMABLE, causes blindness, narcosis, irritation
    • Safety: FLAMMABLE / TOXIC
    • First Aid: Eye: Irrigate immediately Skin: Water flush promptly Breathing: Respiratory support Swallow: Medical attention immediately
    • Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact
    • Symptoms: Irritation eyes, skin, upper respiratory system; headache, drowsiness, dizziness, nausea, vomiting; visual disturbance, optic nerve damage (blindness); dermatitis
    • Target Organs: Eyes, skin, respiratory system, central nervous system, gastrointestinal tract
    • Incompatibilities and Reactivities: Strong oxidizers
    • Personal protection and Sanitation: Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation
    • Exposure Limits: NIOSH REL : TWA 200 ppm (260 mg/m 3 ) ST 250 ppm (325 mg/m 3 ) [skin] OSHA PEL ?: TWA 200 ppm (260 mg/m 3 )
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1849-29-2 [RN]

212-378-6 [EINECS/ELINCS]

215-933-0 [EINECS/ELINCS]

217-435-9 [EINECS/ELINCS]

811-98-3 [RN]

Hydroxyme​thane

Methanol [Wiki]

Alcool me​thylique

Alcool me​tilico

Metanolo

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: -0.72 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.72 ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 9.68 ACD/KOC (pH 7.4): 9.68
#H bond acceptors: 1 #H bond donors: 1
#Freely Rotating Bonds: 0 Polar Surface Area: 9.23 Å2
Index of Refraction: 1.31 Molar Refractivity: 8.21 cm3
Molar Volume: 42.5 cm3 Polarizability: 3.25 10-24cm3
Surface Tension: 18.8 dyne/cm Density: 0.753 g/cm3
Flash Point: 11.1 °C Enthalpy of Vaporization: 35.21 kJ/mol
Boiling Point: 48.1 °C at 760 mmHg Vapour Pressure: 265 mmHg at 25°C
            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.63
    Log Kow (Exper. database match) =  -0.77
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  39.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -101.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  119  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -97.6 deg C
    BP  (exp database):  64.7 deg C
    VP  (exp database):  1.27E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -0.77 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  RIDDICK,JA ET AL. (1986)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.27E-006  atm-m3/mole
   Group Method:   3.62E-006  atm-m3/mole
   Exper Database: 4.55E-06  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.017E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.77  (exp database)
  Log Kaw used:  -3.730  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.960
      Log Koa (experimental database):  2.880

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8910
   Biowin2 (Non-Linear Model)     :   0.9752
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2883  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9310  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7784
   Biowin6 (MITI Non-Linear Model):   0.9324
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8893
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.69E+004 Pa (127 mm Hg)
  Log Koa (Exp database): 2.880
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.77E-010 
       Octanol/air (Koa) model:  1.86E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.4E-009 
       Mackay model           :  1.42E-008 
       Octanol/air (Koa) model:  1.49E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.6160 E-12 cm3/molecule-sec
      Half-Life =    17.364 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.03E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.77 (expkow database)

 Volatilization from Water:
    Henry LC:  4.55E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      73.41  hours   (3.059 days)
    Half-Life from Model Lake :      848.3  hours   (35.35 days)

 Removal In Wastewater Treatment:
    Total removal:               2.10  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.26  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.4            272          1000       
   Water     40.1            208          1000       
   Soil      49.5            416          1000       
   Sediment  0.0694          1.87e+003    0          
     Persistence Time: 259 hr




        
(Details...) Feedback
DateSeverityStatusFeedback
25/06/2009 09:09:32NormalFixedHorrible HNMR. Operator needs elementary introduction to use the shims.
Verdict: Agreed.Terrible spectrum. Deleted