ChemSpider 2D Image | Phenylphosphine | C6H7P


  • Molecular FormulaC6H7P
  • Average mass110.093 Da
  • Monoisotopic mass110.028534 Da
  • ChemSpider ID12002

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

211-325-4 [EINECS]
638-21-1 [RN]
Fenylfosfin [Czech]
phenyl phosphane
Phenylphosphin [German] [ACD/IUPAC Name]
Phenylphosphine [ACD/IUPAC Name] [Wiki]
Phénylphosphine [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0741946 [DBID]
HSDB 7199 [DBID]
NSC 511703 [DBID]
NSC511703 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Clear, colorless liquid with a foul odor. NIOSH SZ2100000
      Colorless Liquid Novochemy [NC-44066]
    • Safety:

      17-20-36/37/38 Alfa Aesar 30155
      20/21/22 Novochemy [NC-44066]
      20/21/36/37/39 Novochemy [NC-44066]
      26-33-36/37 Alfa Aesar 30155
      4.2 Alfa Aesar 30155
      Danger Alfa Aesar 30155
      DANGER: PYROPHORIC, burns skin and eyes Alfa Aesar 30155
      FLAMMABLE / HARMFUL / IRRITANT Alfa Aesar 30155
      GHS07; GHS09 Novochemy [NC-44066]
      H250-H252-H332-H315-H319-H335 Alfa Aesar 30155
      H332; H403 Novochemy [NC-44066]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-44066]
      P210-P222-P305+P351+P338-P405-P422a-P501a Alfa Aesar 30155
      R52/85 Novochemy [NC-44066]
      Warning Novochemy [NC-44066]
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash Breathing: Respiratory support Swallow: Medical attention immediately NIOSH SZ2100000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH SZ2100000
    • Symptoms:

      In animals: blood changes, anemia, testicular degeneration; loss of appetite, diarrhea, lacrimation (discharge of tears), hind leg tremor; dermatitis NIOSH SZ2100000
    • Target Organs:

      Blood, central nervous system, skin, reproductive system NIOSH SZ2100000
    • Incompatibility:

      None reported [Note: Spontaneously combustible in high concentrations in air. Potential exposure to gaseous PF when polyphosphinates are heated above 392F.] NIOSH SZ2100000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: Daily Remove: When wet or contaminated Change: No recommendation NIOSH SZ2100000
    • Exposure Limits:

      NIOSH REL : C 0.05 ppm (0.25 mg/m 3 ) OSHA PEL ?: none NIOSH SZ2100000
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 160.5±9.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 73.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  156.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5771
       log Kow used: 1.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  112.53 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.531E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6951
   Biowin2 (Non-Linear Model)     :   0.8093
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9559  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6889  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3846
   Biowin6 (MITI Non-Linear Model):   0.3424
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  365 Pa (2.74 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.21E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.97E-007 
       Mackay model           :  6.57E-007 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.827 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.77E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  268
      Log Koc:  2.428 

 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 = 0.450 (BCF = 2.816)
       log Kow used: 1.49 (estimated)

 Volatilization from Water:
    Henry LC:  7.53E-005 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      9.228  hours
    Half-Life from Model Lake :      188.7  hours   (7.861 days)

 Removal In Wastewater Treatment:
    Total removal:               5.70  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                3.79  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.99            132          1000       
   Water     36.9            360          1000       
   Soil      53.1            720          1000       
   Sediment  0.0871          3.24e+003    0          
     Persistence Time: 321 hr


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