Chemical Properties of Phenol (CAS 108-95-2)

Phenol

InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Formula
C6H6O
SMILES
Oc1ccccc1
Molecular Weight1
94.11
CAS
108-95-2
Other Names
  • Acide carbolique
  • Baker's P & S liquid & Ointment
  • Baker's P and S Liquid and Ointment
  • Benzene, hydroxy-
  • Carbolic acid
  • Carbolsaure
  • Fenol
  • Fenolo
  • Izal
  • Monohydroxybenzene
  • Monophenol
  • NA 2821
  • NCI-C50124
  • NSC 36808
  • Oxybenzene
  • Paoscle
  • PhOH
  • Phenic acid
  • Phenic alcohol
  • Phenol alcohol
  • Phenol, molten
  • Phenole
  • Phenyl alcohol
  • Phenyl hydrate
  • Phenylic acid
  • Phenylic alcohol
  • Rcra waste number U188
  • UN 1671
  • UN 2312
  • UN 2821
  • benzenol
  • hydroxybenzene
  • phenyl hydroxide
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Physical Properties

Property Value Unit Source
ω [0.4380; 0.4420]   Show Hide
ω 0.4400 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.4420 ChemSep v8.3 pure component data Compiled value
ω 0.4380 KDB
PAff 817.30 kJ/mol NIST
Tig 988.15 K KDB
BasG 786.30 kJ/mol NIST
ΔcH°solid [-3067.00; -3053.50] kJ/mol Show Hide
ΔcH°solid -3053.60 ± 0.30 kJ/mol NIST
ΔcH°solid -3053.50 ± 0.67 kJ/mol NIST
ΔcH°solid -3055.80 kJ/mol NIST
ΔcH°solid -3054.70 kJ/mol NIST
ΔcH°solid -3066.04 kJ/mol NIST
ΔcH°solid -3067.00 kJ/mol NIST
μ [1.45; 1.60] debye Show Hide
μ 1.45 debye ChemSep v8.3 pure component data Compiled value
μ 1.60 debye KDB
LFL 1.70 % in Air KDB
UFL 8.60 % in Air KDB
Tflash,cc 358.15 K KDB
Tflash,oc 352.59 K KDB
ΔfG° [-32.90; -32.64] kJ/mol Show Hide
ΔfG° -32.64 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° -32.90 kJ/mol KDB
Rg 3.5500 KDB
ΔfH°gas [-96.44; -94.20] kJ/mol Show Hide
ΔfH°gas -96.40 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -96.42 kJ/mol KDB
ΔfH°gas -96.36 ± 0.59 kJ/mol NIST
ΔfH°gas -96.44 ± 0.63 kJ/mol NIST
ΔfH°gas -94.20 kJ/mol NIST
ΔfH°gas -95.30 kJ/mol NIST
ΔfH°solid [-165.10; -162.80] kJ/mol Show Hide
ΔfH°solid -165.00 kJ/mol NIST
ΔfH°solid -165.10 ± 1.30 kJ/mol NIST
ΔfH°solid -162.80 ± 1.00 kJ/mol NIST
ΔfH°solid -163.90 kJ/mol NIST
ΔfusH° 11.51 kJ/mol Joback Calculated Property
ΔsubH° [68.60; 69.70] kJ/mol Show Hide
ΔsubH° 69.70 ± 0.90 kJ/mol NIST
ΔsubH° 68.60 kJ/mol NIST
ΔsubH° 68.66 ± 0.50 kJ/mol NIST
ΔsubH° 68.70 kJ/mol NIST
ΔvapH° 58.80 kJ/mol NIST
IE [8.00; 9.10] eV Show Hide
IE 8.49 ± 0.02 eV NIST
IE 8.51 ± 0.00 eV NIST
IE 8.51 ± 0.00 eV NIST
IE 8.49 eV NIST
IE Outlier 8.00 eV NIST
IE 8.21 eV NIST
IE 8.55 eV NIST
IE 8.47 ± 0.02 eV NIST
IE Outlier 9.10 ± 0.10 eV NIST
IE 8.37 eV NIST
IE 8.50 eV NIST
IE 8.69 eV NIST
IE 8.48 ± 0.05 eV NIST
IE 8.52 eV NIST
IE 8.50 ± 0.01 eV NIST
IE 8.52 ± 0.02 eV NIST
IE 8.75 eV NIST
IE 8.61 eV NIST
IE 8.70 eV NIST
IE 8.56 eV NIST
IE 8.69 eV NIST
IE 8.73 eV NIST
IE 8.67 eV NIST
IE 8.56 eV NIST
log10WS [0.00; 0.00]   Show Hide
log10WS 0.00 Aq. Solubility Prediction
log10WS 0.00 Estimated Solubility
logPoct/wat 1.392 Crippen Calculated Property
McVol 77.510 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 3 KDB
Pc [5670.00; 6130.16] kPa Show Hide
Pc Outlier 5670.00 kPa Vapor-Liquid Critical Properties of Phenol and (C8 to C10) Phenylalkanols
Pc 5930.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc 6130.16 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 6130.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 6130.00 kPa KDB
Pc 5930.00 ± 78.45 kPa NIST
Pc 6130.16 ± 81.06 kPa NIST
Ptriple 0.19 kPa ChemSep v8.3 pure component data Compiled value
Inp [150.40; 1004.10]   Show Hide
Inp 950.00 NIST
Inp 950.00 NIST
Inp 950.00 NIST
Inp 950.00 NIST
Inp 974.00 NIST
Inp 950.20 NIST
Inp 950.70 NIST
Inp 944.70 NIST
Inp 945.20 NIST
Inp 952.50 NIST
Inp 943.00 NIST
Inp 944.00 NIST
Inp 952.00 NIST
Inp 954.00 NIST
Inp 929.00 NIST
Inp 964.00 NIST
Inp 952.00 NIST
Inp 953.00 NIST
Inp 964.00 NIST
Inp 924.00 NIST
Inp 943.00 NIST
Inp 929.00 NIST
Inp 932.00 NIST
Inp 965.00 NIST
Inp 926.00 NIST
Inp 951.00 NIST
Inp 954.00 NIST
Inp 955.00 NIST
Inp 966.00 NIST
Inp 942.00 NIST
Inp 933.00 NIST
Inp 950.00 NIST
Inp 960.00 NIST
Inp 961.00 NIST
Inp 964.00 NIST
Inp 973.00 NIST
Inp 923.00 NIST
Inp 950.00 NIST
Inp 970.00 NIST
Inp 967.00 NIST
Inp 981.40 NIST
Inp 992.00 NIST
Inp 981.00 NIST
Inp 959.60 NIST
Inp 978.80 NIST
Inp 956.00 NIST
Inp 961.00 NIST
Inp 954.10 NIST
Inp 978.16 NIST
Inp 979.62 NIST
Inp 977.00 NIST
Inp 955.00 NIST
Inp 977.00 NIST
Inp 954.00 NIST
Inp 959.00 NIST
Inp 958.50 NIST
Inp 954.90 NIST
Inp 979.90 NIST
Inp 959.00 NIST
Inp 957.00 NIST
Inp 975.00 NIST
Inp 978.00 NIST
Inp 959.00 NIST
Inp 947.60 NIST
Inp 965.40 NIST
Inp 952.00 NIST
Inp 969.00 NIST
Inp 980.80 NIST
Inp 980.80 NIST
Inp 983.00 NIST
Inp 962.00 NIST
Inp 966.00 NIST
Inp 962.00 NIST
Inp 998.00 NIST
Inp 962.00 NIST
Inp 942.00 NIST
Inp 933.00 NIST
Inp 933.00 NIST
Inp 945.00 NIST
Inp 944.00 NIST
Inp 946.00 NIST
Inp 992.00 NIST
Inp 1004.10 NIST
Inp 995.50 NIST
Inp 986.80 NIST
Inp 992.00 NIST
Inp 992.00 NIST
Inp 955.00 NIST
Inp 953.00 NIST
Inp 980.00 NIST
Inp 962.00 NIST
Inp 956.00 NIST
Inp 989.00 NIST
Inp 983.00 NIST
Inp 962.00 NIST
Inp 962.00 NIST
Inp 994.00 NIST
Inp 984.00 NIST
Inp 987.00 NIST
Inp 989.00 NIST
Inp 981.00 NIST
Inp 994.00 NIST
Inp 978.00 NIST
Inp 972.00 NIST
Inp 986.00 NIST
Inp 979.00 NIST
Inp 968.00 NIST
Inp 978.00 NIST
Inp 983.00 NIST
Inp 980.00 NIST
Inp 951.00 NIST
Inp 954.00 NIST
Inp 980.00 NIST
Inp 957.00 NIST
Inp 963.00 NIST
Inp 980.00 NIST
Inp 957.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 964.00 NIST
Inp 992.00 NIST
Inp 974.00 NIST
Inp 989.00 NIST
Inp 961.00 NIST
Inp 986.00 NIST
Inp 978.00 NIST
Inp 951.00 NIST
Inp 977.00 NIST
Inp 986.00 NIST
Inp 973.00 NIST
Inp 951.00 NIST
Inp 981.00 NIST
Inp 964.00 NIST
Inp 957.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 954.00 NIST
Inp 948.00 NIST
Inp 969.00 NIST
Inp 953.00 NIST
Inp 982.00 NIST
Inp 982.00 NIST
Inp 979.00 NIST
Inp 995.00 NIST
Inp 987.00 NIST
Inp 980.00 NIST
Inp 983.00 NIST
Inp 969.00 NIST
Inp 976.00 NIST
Inp 976.00 NIST
Inp 976.00 NIST
Inp 976.00 NIST
Inp 977.00 NIST
Inp 986.00 NIST
Inp 989.00 NIST
Inp 974.00 NIST
Inp 976.00 NIST
Inp 984.00 NIST
Inp 952.00 NIST
Inp 980.00 NIST
Inp 980.00 NIST
Inp 1002.00 NIST
Inp 977.00 NIST
Inp 961.00 NIST
Inp 973.00 NIST
Inp 976.00 NIST
Inp 995.00 NIST
Inp 984.00 NIST
Inp 987.00 NIST
Inp 956.00 NIST
Inp 962.00 NIST
Inp 985.00 NIST
Inp 982.00 NIST
Inp 983.00 NIST
Inp 962.00 NIST
Inp 1002.00 NIST
Inp 964.00 NIST
Inp 961.00 NIST
Inp 982.00 NIST
Inp 961.00 NIST
Inp 964.00 NIST
Inp 973.00 NIST
Inp 987.00 NIST
Inp 959.00 NIST
Inp 926.00 NIST
Inp 981.00 NIST
Inp Outlier 151.40 NIST
Inp Outlier 151.60 NIST
Inp Outlier 156.32 NIST
Inp Outlier 154.70 NIST
Inp Outlier 156.32 NIST
Inp Outlier 152.20 NIST
Inp Outlier 150.40 NIST
Inp Outlier 156.32 NIST
Inp Outlier 158.08 NIST
Inp 981.40 NIST
Inp 956.00 NIST
Inp 977.00 NIST
Inp 958.50 NIST
Inp 975.00 NIST
Inp 952.00 NIST
Inp 962.00 NIST
Inp 942.00 NIST
Inp 946.00 NIST
Inp 982.00 NIST
Inp 980.00 NIST
Inp 976.00 NIST
Inp 974.00 NIST
Inp 1002.00 NIST
Inp 964.00 NIST
Inp 981.00 NIST
Inp Outlier 151.40 NIST
Inp 989.00 NIST
Inp 984.00 NIST
Inp 978.00 NIST
Inp 961.00 NIST
Inp 948.00 NIST
Inp 992.00 NIST
Inp 967.00 NIST
Inp 950.00 NIST
Inp 950.20 NIST
Inp 943.00 NIST
Inp 951.00 NIST
Inp 933.00 NIST
Inp 973.00 NIST
Inp Outlier 152.20 NIST
Ip [1946.00; 2045.00]   Show Hide
Ip 2000.00 NIST
Ip 2000.00 NIST
Ip 1971.00 NIST
Ip 1957.00 NIST
Ip Outlier 1947.00 NIST
Ip Outlier 1947.00 NIST
Ip 2030.00 NIST
Ip 2037.00 NIST
Ip 2008.00 NIST
Ip 2008.00 NIST
Ip 1992.00 NIST
Ip 1962.00 NIST
Ip 2019.00 NIST
Ip 2028.00 NIST
Ip 1956.00 NIST
Ip 1987.00 NIST
Ip 2019.00 NIST
Ip 2014.00 NIST
Ip 2032.00 NIST
Ip 2032.00 NIST
Ip 2014.00 NIST
Ip 2004.00 NIST
Ip 2006.00 NIST
Ip 1987.00 NIST
Ip 2000.00 NIST
Ip 2015.00 NIST
Ip 2000.00 NIST
Ip 2000.00 NIST
Ip 2000.00 NIST
Ip 2015.00 NIST
Ip 2015.00 NIST
Ip 1956.00 NIST
Ip 2010.00 NIST
Ip 2023.76 NIST
Ip 2018.23 NIST
Ip 2024.04 NIST
Ip 2015.92 NIST
Ip 2004.00 NIST
Ip 2015.00 NIST
Ip 2008.00 NIST
Ip 1996.00 NIST
Ip 1965.00 NIST
Ip 1978.00 NIST
Ip 1977.00 NIST
Ip 1965.00 NIST
Ip 1973.00 NIST
Ip 1965.00 NIST
Ip 1973.00 NIST
Ip 1973.00 NIST
Ip 1975.00 NIST
Ip 2012.00 NIST
Ip 2014.00 NIST
Ip 1997.00 NIST
Ip 1984.50 NIST
Ip 1983.40 NIST
Ip 1967.00 NIST
Ip 1962.00 NIST
Ip 1950.00 NIST
Ip 2026.00 NIST
Ip 2015.00 NIST
Ip 1996.00 NIST
Ip 1996.00 NIST
Ip 1984.00 NIST
Ip 2003.00 NIST
Ip 2028.00 NIST
Ip 1990.00 NIST
Ip 2035.00 NIST
Ip 2039.00 NIST
Ip 2039.00 NIST
Ip 2012.00 NIST
Ip 2007.00 NIST
Ip 1995.00 NIST
Ip 1989.00 NIST
Ip 2030.00 NIST
Ip 2008.00 NIST
Ip 2020.00 NIST
Ip 2011.00 NIST
Ip 1994.00 NIST
Ip 2019.00 NIST
Ip 1993.00 NIST
Ip 2007.00 NIST
Ip 2007.00 NIST
Ip 2007.00 NIST
Ip 2015.00 NIST
Ip 2023.00 NIST
Ip 2035.00 NIST
Ip 2017.00 NIST
Ip 2015.00 NIST
Ip 2039.00 NIST
Ip 2020.00 NIST
Ip 1969.00 NIST
Ip 2045.00 NIST
Ip 2012.00 NIST
Ip 2019.00 NIST
Ip 2011.00 NIST
Ip Outlier 1946.00 NIST
Ip 2007.00 NIST
Ip 2009.00 NIST
Ip 1995.00 NIST
Ip 2039.00 NIST
Ip 2039.00 NIST
Ip 2035.00 NIST
Ip 1955.00 NIST
Ip 1949.00 NIST
Ip 1973.00 NIST
Ip 1984.00 NIST
Ip 2015.00 NIST
Ip 1951.00 NIST
Ip 2005.00 NIST
Ip 1950.00 NIST
Ip 1989.00 NIST
Ip 1983.00 NIST
Ip 2000.00 NIST
Ip 1990.00 NIST
Ip 2004.00 NIST
Ip 1958.00 NIST
Ip 2028.00 NIST
Ip 1956.00 NIST
Ip 1957.00 NIST
Ip 1969.00 NIST
Ip 1953.00 NIST
Ip 1988.00 NIST
Ip 1996.00 NIST
Ip 2014.00 NIST
Ip 2004.00 NIST
Ip 1973.00 NIST
Ip 1978.00 NIST
Ip 2002.00 NIST
Ip 2037.00 NIST
Ip 2022.00 NIST
Ip 2020.00 NIST
Ip 1996.00 NIST
Ip 1998.00 NIST
Ip 1978.00 NIST
Ip 2007.00 NIST
Ip 1989.00 NIST
Ip 2004.00 NIST
Ip 2007.00 NIST
Ip 1984.00 NIST
Ip 2000.00 NIST
Ip 2020.00 NIST
Ip 2004.00 NIST
Ip 1993.00 NIST
Ip 1996.00 NIST
Ip 2000.00 NIST
Ip 2014.00 NIST
Ip 1996.00 NIST
Ip 2009.00 NIST
Ip 1979.00 NIST
Ip 1995.00 NIST
Ip 1954.00 NIST
Ip 1955.00 NIST
Ip 1954.00 NIST
Ip 1961.00 NIST
Ip 1967.00 NIST
Ip 2008.00 NIST
Ip 2028.00 NIST
Ip 2032.00 NIST
Ip 1987.00 NIST
Ip 2000.00 NIST
Ip 2023.76 NIST
Ip 2015.00 NIST
Ip 1977.00 NIST
Ip 1973.00 NIST
Ip 1984.50 NIST
Ip Outlier 1947.00 NIST
Ip 2035.00 NIST
Ip 1995.00 NIST
Ip 2011.00 NIST
Ip 2007.00 NIST
Ip 2017.00 NIST
Ip 2045.00 NIST
Ip 1983.00 NIST
Ip 1988.00 NIST
Ip 2020.00 NIST
Ip 1989.00 NIST
Ip 2014.00 NIST
Ip 1954.00 NIST
S°solid,1 bar [142.70; 144.01] J/mol×K Show Hide
S°solid,1 bar 144.01 J/mol×K NIST
S°solid,1 bar 142.70 J/mol×K NIST
Tboil [445.20; 458.00] K Show Hide
Tboil 455.04 K ChemSep v8.3 pure component data Compiled value
Tboil 455.02 K KDB
Tboil 454.96 ± 0.30 K NIST
Tboil 454.90 K NIST
Tboil 454.95 K NIST
Tboil 455.30 ± 0.15 K NIST
Tboil 454.76 ± 0.05 K NIST
Tboil 454.75 ± 0.05 K NIST
Tboil 454.95 ± 0.20 K NIST
Tboil 454.85 ± 0.30 K NIST
Tboil 454.85 ± 0.50 K NIST
Tboil 454.95 ± 0.15 K NIST
Tboil 454.85 ± 1.00 K NIST
Tboil 454.90 ± 0.30 K NIST
Tboil 455.35 ± 1.00 K NIST
Tboil Outlier 445.20 ± 0.50 K NIST
Tboil 455.15 ± 2.00 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 454.35 ± 0.40 K NIST
Tboil 455.05 ± 2.00 K NIST
Tboil 454.75 ± 2.00 K NIST
Tboil 455.40 ± 0.50 K NIST
Tboil 454.60 ± 0.30 K NIST
Tboil 454.65 ± 1.50 K NIST
Tboil 455.35 ± 1.00 K NIST
Tboil 458.00 ± 0.30 K NIST
Tboil 455.25 ± 1.00 K NIST
Tboil 455.75 ± 0.50 K NIST
Tc [692.40; 694.30] K Show Hide
Tc 694.20 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc 694.20 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 694.25 K ChemSep v8.3 pure component data Compiled value
Tc 694.20 K KDB
Tc 694.30 ± 0.40 K NIST
Tc 694.25 ± 0.15 K NIST
Tc Outlier 692.40 ± 2.00 K NIST
Tfus [312.40; 316.15] K Show Hide
Tfus 314.85 K (Solid + liquid) phase equilibria and solid-compound formation in (N-methyl-2-pyrrolidinone + phenol, or 3,5-dimethylphenol)
Tfus 314.05 K Solid-liquid equilibria and the physical properties of binary systems of diphenyl carbonate, dimethyl carbonate, methyl phenyl carbonate, anisole, methanol and phenol
Tfus 314.10 K The solid-liquid equilitbrium, excess molar volume and refractive deviation properties of binary systems containing dimethyl carbonate, anisole and phenol
Tfus 314.15 K Liquid pharmaceuticals formulation by eutectic formation
Tfus 314.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 314.06 K ChemSep v8.3 pure component data Compiled value
Tfus 314.00 K KDB
Tfus 314.30 K Aq. Solubility Prediction
Tfus 313.85 ± 0.30 K NIST
Tfus 314.05 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.05 ± 0.06 K NIST
Tfus 313.95 ± 0.50 K NIST
Tfus 314.05 ± 0.30 K NIST
Tfus 314.20 ± 0.30 K NIST
Tfus 314.13 ± 0.02 K NIST
Tfus 314.05 ± 0.50 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.05 ± 0.10 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 313.15 ± 0.60 K NIST
Tfus 313.90 ± 0.20 K NIST
Tfus 313.00 ± 1.50 K NIST
Tfus Outlier 315.65 ± 0.50 K NIST
Tfus 313.35 ± 0.50 K NIST
Tfus 314.05 ± 0.20 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 313.55 ± 0.30 K NIST
Tfus 314.05 ± 0.30 K NIST
Tfus 314.65 ± 0.30 K NIST
Tfus 313.65 ± 0.50 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 313.85 ± 0.20 K NIST
Tfus 313.30 ± 2.00 K NIST
Tfus 312.90 ± 2.00 K NIST
Tfus Outlier 315.70 ± 1.00 K NIST
Tfus Outlier 312.40 ± 0.50 K NIST
Tfus 313.86 ± 0.30 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 314.02 ± 0.20 K NIST
Tfus 313.86 ± 0.30 K NIST
Tfus 314.07 ± 0.10 K NIST
Tfus 313.05 ± 1.00 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 312.85 ± 0.20 K NIST
Tfus 313.95 ± 0.10 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 313.65 ± 0.50 K NIST
Tfus 313.95 ± 0.50 K NIST
Tfus Outlier 312.55 ± 0.50 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 312.85 ± 0.50 K NIST
Tfus 313.03 ± 1.00 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 313.15 ± 1.00 K NIST
Tfus Outlier 316.15 ± 2.00 K NIST
Tfus Outlier 315.65 ± 0.60 K NIST
Tfus 313.15 ± 1.50 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 314.00 ± 0.40 K NIST
Tfus 312.70 ± 1.00 K NIST
Ttriple [314.06; 314.06] K Show Hide
Ttriple 314.06 K ChemSep v8.3 pure component data Compiled value
Ttriple 314.06 ± 0.01 K NIST
Ttriple 314.06 ± 0.01 K NIST
UQi 2.68 ChemSep v8.3 pure component data Compiled value
URi 3.55 ChemSep v8.3 pure component data Compiled value
Vc [0.229; 0.229] m3/kmol Show Hide
Vc 0.229 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.229 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.229 m3/kmol KDB
Zc [0.2430000; 0.2432060]   Show Hide
Zc 0.2430000 ChemSep v8.3 pure component data Compiled value
Zc 0.2432060 KDB
Zra 0.28 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [93.70; 199.80] J/mol×K [229.30; 313.00] Show Hide
Cp,solid 103.80 J/mol×K 229.30 NIST
Cp,solid 93.70 J/mol×K 293.00 NIST
Cp,solid 133.09 J/mol×K 295.80 NIST
Cp,solid 127.21 J/mol×K 298.15 NIST
Cp,solid 127.44 J/mol×K 298.15 NIST
Cp,solid 199.80 J/mol×K 313.00 NIST
ΔfusH [10.58; 12.12] kJ/mol [312.70; 314.13] Show Hide
ΔfusH 10.58 kJ/mol 312.70 NIST
ΔfusH 11.51 kJ/mol 314.00 NIST
ΔfusH 11.51 kJ/mol 314.00 NIST
ΔfusH 11.51 kJ/mol 314.06 NIST
ΔfusH 11.51 kJ/mol 314.06 NIST
ΔfusH 12.12 kJ/mol 314.13 NIST
ΔsubH [65.30; 68.70] kJ/mol [280.50; 297.50] Show Hide
ΔsubH 65.30 ± 3.30 kJ/mol 280.50 NIST
ΔsubH 68.10 kJ/mol 291.50 NIST
ΔsubH 67.80 kJ/mol 291.50 NIST
ΔsubH 68.20 kJ/mol 293.00 NIST
ΔsubH 68.70 ± 0.50 kJ/mol 297.50 NIST
ΔvapH [43.80; 57.40] kJ/mol [354.50; 572.50] Show Hide
ΔvapH 57.40 kJ/mol 354.50 NIST
ΔvapH 53.20 kJ/mol 377.00 NIST
ΔvapH 51.40 kJ/mol 417.50 NIST
ΔvapH 50.90 kJ/mol 421.50 NIST
ΔvapH 51.30 kJ/mol 428.00 NIST
ΔvapH 48.10 kJ/mol 434.00 NIST
ΔvapH 45.61 kJ/mol 454.90 KDB
ΔvapH 46.80 kJ/mol 487.50 NIST
ΔvapH 49.50 kJ/mol 555.00 NIST
ΔvapH 43.80 kJ/mol 572.50 NIST
Pvap [2.04; 53.23] kPa [353.15; 433.15] Show Hide
Pvap 2.04 kPa 353.15 Vapor-Liquid Equilibrium for Phenol + r-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n-Butyl Formate
Pvap 5.51 kPa 373.10 Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
Pvap 5.53 kPa 373.10 Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
Pvap 5.54 kPa 373.15 Vapor-Liquid Equilibrium for Phenol + r-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n-Butyl Formate
Pvap 13.15 kPa 393.15 Vapor-Liquid Equilibrium for Phenol + r-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n-Butyl Formate
Pvap 39.18 kPa 423.15 Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
Pvap 53.23 kPa 433.15 Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
n0 1.54050 314.15 Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
ρl [1032.40; 1061.00] kg/m3 [298.15; 343.15] Show Hide
ρl 1058.51 kg/m3 298.15 Ternary liquid-liquid equilibria and binary excess and deviation properties at constant temperature for mixtures of dimethyl carbonate, anisole, methanol, phenol and water
ρl 1059.00 kg/m3 313.00 KDB
ρl 1058.51 kg/m3 313.15 Liquid Liquid Equilibria for Ternary Mixtures of Methylphenyl Carbonate, Dimethyl Carbonate, Diphenyl Carbonate, Anisole, Methanol, Phenol, and Water at Several Temperatures
ρl 1058.30 kg/m3 313.15 Liquid-Liquid Equilibria in Ternary Systems of Aromatic Hydrocarbons (Toluene or Ethylbenzene) + Phenols + Water
ρl 1058.30 kg/m3 313.15 Liquid-Liquid(-Liquid) Equilibria in Ternary Systems of Aliphatic Hydrocarbons (Heptane or Octane) + Phenols + Water
ρl 1058.30 kg/m3 313.15 Vapor-Liquid Equilibria in Ternary Systems of Toluene or Octane + Phenols + Water
ρl 1061.00 kg/m3 314.45 Liquid liquid equilibria for the quaternary system methyl isobutyl ketone water phenol hydroquinone
ρl 1058.10 kg/m3 314.50 Ternary and Quaternary Liquid-Liquid Equilibria for Systems of Methyl Butyl Ketone + Water + Hydroquinone + Phenol at 313.2 K and Atmospheric Pressure
ρl 1054.10 kg/m3 318.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl 1049.81 kg/m3 323.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl 1045.50 kg/m3 328.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl 1041.16 kg/m3 333.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl 1036.79 kg/m3 338.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl 1032.40 kg/m3 343.15 Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ΔfusS [33.30; 36.66] J/mol×K [312.70; 314.06] Show Hide
ΔfusS 33.80 J/mol×K 312.70 NIST
ΔfusS 33.30 J/mol×K 314.00 NIST
ΔfusS 36.66 J/mol×K 314.06 NIST
ΔfusS 36.66 J/mol×K 314.06 NIST
γ 0.03 N/m 373.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [42.53; 260.33] J/mol×K [100.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.97580e+01
Coefficient B-4.70560e+02
Coefficient C5.71924e+00
Coefficient D6.83470e-05
Coefficient E-4.97080e-08
Temperature range, min.100.00
Temperature range, max.1500.00
Cp,gas 42.53 J/mol×K 100.00 Calculated Property
Cp,gas 88.77 J/mol×K 255.56 Calculated Property
Cp,gas 138.68 J/mol×K 411.11 Calculated Property
Cp,gas 175.62 J/mol×K 566.67 Calculated Property
Cp,gas 202.33 J/mol×K 722.22 Calculated Property
Cp,gas 221.91 J/mol×K 877.78 Calculated Property
Cp,gas 236.41 J/mol×K 1033.33 Calculated Property
Cp,gas 247.12 J/mol×K 1188.89 Calculated Property
Cp,gas 254.90 J/mol×K 1344.44 Calculated Property
Cp,gas 260.33 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [202.65; 301.75] J/mol×K [314.05; 655.37] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A8.67100e+01
Coefficient B-6.28110e+02
Coefficient C8.82724e+00
Coefficient D-9.17430e-03
Coefficient E8.18270e-06
Temperature range, min.314.05
Temperature range, max.655.37
Cp,liquid 202.65 J/mol×K 314.05 Calculated Property
Cp,liquid 211.59 J/mol×K 351.97 Calculated Property
Cp,liquid 218.76 J/mol×K 389.90 Calculated Property
Cp,liquid 225.34 J/mol×K 427.82 Calculated Property
Cp,liquid 232.29 J/mol×K 465.75 Calculated Property
Cp,liquid 240.44 J/mol×K 503.67 Calculated Property
Cp,liquid 250.56 J/mol×K 541.60 Calculated Property
Cp,liquid 263.47 J/mol×K 579.52 Calculated Property
Cp,liquid 280.14 J/mol×K 617.45 Calculated Property
Cp,liquid 301.75 J/mol×K 655.37 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0112250; 0.0000420] Pa×s [291.45; 690.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-2.03001e+02
Coefficient B1.08842e+04
Coefficient C2.87361e+01
Coefficient D-2.24564e-05
Coefficient E2.00000e+00
Temperature range, min.291.45
Temperature range, max.690.00
η 0.0112250 Pa×s 291.45 Calculated Property
η 0.0025429 Pa×s 335.73 Calculated Property
η 0.0010041 Pa×s 380.02 Calculated Property
η 0.0005393 Pa×s 424.30 Calculated Property
η 0.0003406 Pa×s 468.58 Calculated Property
η 0.0002314 Pa×s 512.87 Calculated Property
η 0.0001597 Pa×s 557.15 Calculated Property
η 0.0001078 Pa×s 601.43 Calculated Property
η 0.0000694 Pa×s 645.72 Calculated Property
η 0.0000420 Pa×s 690.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [58.14; 21.96] kJ/mol [314.06; 674.24] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A7.27028e+01
Coefficient B-2.65673e-01
Coefficient C2.24855e+00
Coefficient D-2.01871e+00
Coefficient E3.53169e-01
Critical temperature, Tc (K)6.94250e+02
Temperature range, min.314.06
Temperature range, max.674.24
ΔvapH 58.14 kJ/mol 314.06 Calculated Property
ΔvapH 54.54 kJ/mol 354.08 Calculated Property
ΔvapH 50.91 kJ/mol 394.10 Calculated Property
ΔvapH 47.32 kJ/mol 434.12 Calculated Property
ΔvapH 43.81 kJ/mol 474.14 Calculated Property
ΔvapH 40.38 kJ/mol 514.16 Calculated Property
ΔvapH 36.97 kJ/mol 554.18 Calculated Property
ΔvapH 33.40 kJ/mol 594.20 Calculated Property
ΔvapH 29.17 kJ/mol 634.22 Calculated Property
ΔvapH 21.96 kJ/mol 674.24 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [0.14; 202.67] kPa [314.06; 481.13] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.49478e+01
Coefficient B-3.75184e+03
Coefficient C-9.17810e+01
Temperature range, min.314.06
Temperature range, max.481.13
Pvap 0.14 kPa 314.06 Calculated Property
Pvap 0.53 kPa 332.62 Calculated Property
Pvap 1.62 kPa 351.19 Calculated Property
Pvap 4.26 kPa 369.75 Calculated Property
Pvap 9.93 kPa 388.31 Calculated Property
Pvap 20.92 kPa 406.88 Calculated Property
Pvap 40.58 kPa 425.44 Calculated Property
Pvap 73.40 kPa 444.00 Calculated Property
Pvap 125.10 kPa 462.57 Calculated Property
Pvap 202.67 kPa 481.13 Calculated Property
Pvap [0.05; 6111.19] kPa [310.45; 694.25] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A2.94062e+02
Coefficient B-2.02690e+04
Coefficient C-4.07430e+01
Coefficient D2.16310e-05
Coefficient E2.00000e+00
Temperature range, min.310.45
Temperature range, max.694.25
Pvap 0.05 kPa 310.45 Calculated Property
Pvap 1.39 kPa 353.09 Calculated Property
Pvap 12.91 kPa 395.74 Calculated Property
Pvap 62.80 kPa 438.38 Calculated Property
Pvap 201.30 kPa 481.03 Calculated Property
Pvap 493.83 kPa 523.67 Calculated Property
Pvap 1025.12 kPa 566.32 Calculated Property
Pvap 1929.63 kPa 608.96 Calculated Property
Pvap 3458.21 kPa 651.61 Calculated Property
Pvap 6111.19 kPa 694.25 Calculated Property
Pvap [0.20; 6095.48] kPa [314.06; 694.25] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A9.32745e+01
Coefficient B-1.00030e+04
Coefficient C-1.10400e+01
Coefficient D4.31995e-06
Coefficient E0.00000e+00
Temperature range, min.314.06
Temperature range, max.694.25
Pvap 0.20 kPa 314.06 Calculated Property
Pvap 2.41 kPa 356.30 Calculated Property
Pvap 15.74 kPa 398.55 Calculated Property
Pvap 66.86 kPa 440.79 Calculated Property
Pvap 209.65 kPa 483.03 Calculated Property
Pvap 528.09 kPa 525.28 Calculated Property
Pvap 1132.56 kPa 567.52 Calculated Property
Pvap 2155.01 kPa 609.76 Calculated Property
Pvap 3748.72 kPa 652.01 Calculated Property
Pvap 6095.48 kPa 694.25 Calculated Property
Pvap [7.60; 101.30] kPa [380.30; 454.90] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.43840e+01
Coefficient B-3.47616e+03
Coefficient C-9.89490e+01
ReferenceDreisbach and Shrader, 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.380.30
Temperature range, max.454.90
Pvap 7.60 kPa 380.30 Calculated Property
Pvap 10.83 kPa 388.59 Calculated Property
Pvap 15.12 kPa 396.88 Calculated Property
Pvap 20.74 kPa 405.17 Calculated Property
Pvap 27.97 kPa 413.46 Calculated Property
Pvap 37.15 kPa 421.74 Calculated Property
Pvap 48.65 kPa 430.03 Calculated Property
Pvap 62.87 kPa 438.32 Calculated Property
Pvap 80.26 kPa 446.61 Calculated Property
Pvap 101.30 kPa 454.90 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1058.02; 530.05] kg/m3 [314.06; 688.71] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A1.40574e+02
Coefficient B3.28830e-01
Coefficient C6.94250e+02
Coefficient D3.40180e-01
Temperature range, min.314.06
Temperature range, max.688.71
ρl 1058.02 kg/m3 314.06 Calculated Property
ρl 1021.57 kg/m3 355.69 Calculated Property
ρl 983.46 kg/m3 397.32 Calculated Property
ρl 943.27 kg/m3 438.94 Calculated Property
ρl 900.41 kg/m3 480.57 Calculated Property
ρl 853.99 kg/m3 522.20 Calculated Property
ρl 802.47 kg/m3 563.83 Calculated Property
ρl 742.85 kg/m3 605.45 Calculated Property
ρl 667.48 kg/m3 647.08 Calculated Property
ρl 530.05 kg/m3 688.71 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.02] N/m [314.15; 455.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A7.27397e-02
Coefficient B-1.06900e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.314.15
Temperature range, max.455.15
γ 0.04 N/m 314.15 Calculated Property
γ 0.04 N/m 329.82 Calculated Property
γ 0.04 N/m 345.48 Calculated Property
γ 0.03 N/m 361.15 Calculated Property
γ 0.03 N/m 376.82 Calculated Property
γ 0.03 N/m 392.48 Calculated Property
γ 0.03 N/m 408.15 Calculated Property
γ 0.03 N/m 423.82 Calculated Property
γ 0.03 N/m 439.48 Calculated Property
γ 0.02 N/m 455.15 Calculated Property
γ [0.04; 0.00] N/m [273.15; 674.24] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-4.78760e-02
Coefficient B-1.63070e+01
Coefficient C-2.03760e+00
Coefficient D-9.04600e-04
Coefficient E-7.35800e-07
Temperature range, min.273.15
Temperature range, max.674.24
γ 0.04 N/m 273.15 Calculated Property
γ 0.04 N/m 317.72 Calculated Property
γ 0.03 N/m 362.28 Calculated Property
γ 0.03 N/m 406.85 Calculated Property
γ 0.02 N/m 451.41 Calculated Property
γ 0.02 N/m 495.98 Calculated Property
γ 0.01 N/m 540.54 Calculated Property
γ 0.01 N/m 585.11 Calculated Property
γ 0.01 N/m 629.67 Calculated Property
γ 0.00 N/m 674.24 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.07] W/m×K [199.82; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A3.49500e-02
Coefficient B2.78450e-01
Coefficient C1.58520e+03
Coefficient D8.62070e+05
Temperature range, min.199.82
Temperature range, max.1000.00
λgas 0.01 W/m×K 199.82 Calculated Property
λgas 0.01 W/m×K 288.73 Calculated Property
λgas 0.02 W/m×K 377.64 Calculated Property
λgas 0.02 W/m×K 466.55 Calculated Property
λgas 0.03 W/m×K 555.46 Calculated Property
λgas 0.04 W/m×K 644.36 Calculated Property
λgas 0.05 W/m×K 733.27 Calculated Property
λgas 0.05 W/m×K 822.18 Calculated Property
λgas 0.06 W/m×K 911.09 Calculated Property
λgas 0.07 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.16; 0.14] W/m×K [314.06; 454.99] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A1.41090e-01
Coefficient B-9.66500e+02
Coefficient C1.06590e+01
Coefficient D-4.90950e-02
Coefficient E3.87030e-05
Temperature range, min.314.06
Temperature range, max.454.99
λliquid 0.16 W/m×K 314.06 Calculated Property
λliquid 0.16 W/m×K 329.72 Calculated Property
λliquid 0.15 W/m×K 345.38 Calculated Property
λliquid 0.15 W/m×K 361.04 Calculated Property
λliquid 0.15 W/m×K 376.70 Calculated Property
λliquid 0.15 W/m×K 392.35 Calculated Property
λliquid 0.15 W/m×K 408.01 Calculated Property
λliquid 0.15 W/m×K 423.67 Calculated Property
λliquid 0.14 W/m×K 439.33 Calculated Property
λliquid 0.14 W/m×K 454.99 Calculated Property

Similar Compounds

Phenol-d6-. Resorcinol. Hydroquinone. 1,2-Benzenediol. phenoxide anion. 2-Naphthalenol. 1,2,4-Benzenetriol. «beta»-Hydroxyanthracene. 2,6-Dihydroxynaphthalene. 3-Hydroxybenz[a]anthracene. 1,2,3-Benzenetriol. 2,7-Naphthalenediol. Phenol, 4-iodo-. PHENOL, 4-PHENOXY-. Phenol, 4-chloro-.

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Mixtures

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Sources

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