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Search term: methane
Found by approved synonym
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Inherent Properties, Identifiers and References
ChemSpider ID: 291
Empirical Formula: CH4
Molecular Weight: 16.0425
Nominal Mass: 16 Da
Average Mass: 16.0425 Da
Monoisotopic Mass: 16.0313 Da
Systematic Name: methane
SMILES: C
InChI: InChI=1/CH4/h1H4
InChIKey: VNWKTOKETHGBQD-UHFFFAOYAM
Std. InChI: InChI=1S/CH4/h1H4
Std. InChIKey: VNWKTOKETHGBQD-UHFFFAOYSA-N
(Details...) Wikipedia Article(s)
Methane is a chemical compound with the chemical formula . It is the simplest alkane, and the principal component of natural gas. Methane's bond angles are 109.5 degrees. Burning methane in the presence of oxygen produces carbon dioxide and water. The relative abundance of methane makes it an attractive fuel. However, because it is a gas at normal temperature and pressure, methane is difficult to transport from its source. In its natural gas form, it is generally transported in bulk by pipeline or LNG carriers; few countries transport it by truck. Methane was discovered and isolated by Alessandro Volta between 1776 and 1778 when studying marsh gas from Lake Maggiore. Methane is a relatively potent greenhouse gas with a high global warming potential of 72 (averaged over 20 years) or 25 (averaged over 100 years).IPCC Fourth Assessment Report Methane in the atmosphere is eventually oxidized, producing carbon dioxide and water. As a result, methane in the atmosphere has a half life of seven years. The abundance of methane in the Earth's atmosphere in 1998 was 1745 parts per billion, up from 700 ppb in 1750. Methane can trap about 20 times the heat of CO2. In the same time period, CO2 increased from 278 to 365 parts per million. The radiative forcing effect due to this increase in methane abundance is about one-third of that of the CO2 increase. In addition, there is a large, but unknown, amount of methane in methane clathrates in the ocean floors. The Earth's crust contains huge amounts of methane. Large amounts of methane are produced anaerobically by methanogenesis. Other sources include mud volcanoes, which are connected with deep geological faults, landfill and livestock (primarily ruminants) from enteric fermentation. Global warming has the potential to trigger the release of large amounts of methane, currently stored as methane clathrates and further cause Arctic methane release from permafrost. Read more... or Edit at Wikipedia...
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User Data

  • experimental physchem properties
    • Melting Point: -182.48
    • Melting Point: -182 C
    • Boiling Point: -164
    • Boiling Point: -164 C
    • Flash Point: -221 C
    • Specific Gravity: 0.717g/l
  • miscellaneous
    • Appearance: colourless odourless gas
    • Stability: Stable. Extremely flammable - note low flash point; mixtures with air constitutean explosion hazard. Reacts violently with interhalogens. Incompatible with strong oxidizing agents, halogens, interha logens,oxygen.
    • Safety: DANGER: FLAMMABLE, explosion hazard with air and ignition
    • Safety: Safety glasses, good ventilation. Remove sources ofignition from the working area. Use a flashback arresteron cylinders of compressed gas.
Names and Synonyms

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

270-651-5 [EINECS/ELINCS]

68475-57-0 [RN]

CH4

Methane [Wiki]

1718732 [Beilstein]

200-812-7 [EINECS/ELINCS]

74-82-8 [RN]

Biogas [Wiki]

D002244

Fire Damp

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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

(Details...) Description

ACD/LogP: 1.09 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.09 ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 5.5): 3.97 ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 5.5): 93.32 ACD/KOC (pH 7.4): 93.32
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 0 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: 8.17 kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: 205000 mmHg at 25°C
            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.78
    Log Kow (Exper. database match) =  1.09
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -62.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -152.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.31E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -182.4 deg C
    BP  (exp database):  -161.5 deg C
    VP  (exp database):  4.66E+05 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2610
       log Kow used: 1.09 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  22 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  428.49 mg/L
    Wat Sol (Exper. database match) =  22.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.14E-001  atm-m3/mole
   Group Method:   6.58E-001  atm-m3/mole
   Exper Database: 6.58E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.146E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (exp database)
  Log Kaw used:  1.430  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.340
      Log Koa (experimental database):  -0.380

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7399
   Biowin2 (Non-Linear Model)     :   0.9416
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1637  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8246  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6648
   Biowin6 (MITI Non-Linear Model):   0.8891
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5033
     BioHC Half-Life (days)     :   3.1866

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.21E+007 Pa (4.66E+005 mm Hg)
  Log Koa (Exp database): -0.380
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.83E-014 
       Octanol/air (Koa) model:  1.02E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.74E-012 
       Mackay model           :  3.86E-012 
       Octanol/air (Koa) model:  8.19E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0069 E-12 cm3/molecule-sec
      Half-Life =  1559.182 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.8E-012 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.203
      Log Koc:  0.624 

 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 = 0.139 (BCF = 1.378)
       log Kow used: 1.09 (expkow database)

 Volatilization from Water:
    Henry LC:  0.658 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.093  hours
    Half-Life from Model Lake :      2.093  hours

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.61  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.28  percent
    Total to Air:               99.31  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.8            3.74e+004    1000       
   Water     42.6            360          1000       
   Soil      0.502           720          1000       
   Sediment  0.0871          3.24e+003    0          
     Persistence Time: 144 hr




        
(Details...) Feedback
DateSeverityStatusFeedback
30/03/2009 05:52:15NormalFixedSome links to NMRShiftDB point to wrong structures.
Verdict: Links to NMRSHiftDB checked and removed
14/01/2009 05:57:26LowRejectedHydrocarbon strain(291) unknown please send info file(F12)
Verdict: Rejected..makes no sense.
13/05/2008 17:26:25LowFixedNo UV-Vis spectrum ?!
Verdict: Somebody had submitted an empty file. Deleted
13/05/2008 17:02:17NormalFixedPlease check link to data source ´SMID´ Data Source : SMID External ID(s) : CH2, CH3, FLH, CHM, COB, DML, MEN, TML, TNP, H4Z
Verdict: The SMID datasource will be deprecated. The SMID dataset has been deprecated 05/14/08
29/04/2007 21:33:00LowFixedThere are many errors in the synonyms... carbon,Atlantic, methylene,CALCIUM; DIAMOND, Degussa
Verdict: Resolved by identifier curation