Chemical Properties of Pyrene (CAS 129-00-0)

Pyrene

InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChI Key
BBEAQIROQSPTKN-UHFFFAOYSA-N
Formula
C16H10
SMILES
c1cc2ccc3cccc4ccc(c1)c2c34
Molecular Weight1
202.25
CAS
129-00-0
Other Names
  • BENZOPHENANTHRENE
  • BETA-PYRENE
  • Benzo[def]phenanthrene
  • Coal tar pitch volatiles:pyrene
  • Pyren
  • benzo(def)phenanthrene
  • «beta»-Pyrene
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Physical Properties

Property Value Unit Source
ω [0.4862; 0.5074]   Show Hide
ω 0.4862 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.5074 ChemSep v8.3 pure component data Compiled value
PAff [867.80; 869.20] kJ/mol Show Hide
PAff 869.20 kJ/mol NIST
PAff 867.80 kJ/mol NIST
BasG [840.10; 841.80] kJ/mol Show Hide
BasG 840.10 kJ/mol NIST
BasG 841.80 kJ/mol NIST
ΔcH°solid [-7850.70; -7840.00] kJ/mol Show Hide
ΔcH°solid -7850.70 ± 1.00 kJ/mol NIST
ΔcH°solid -7840.10 ± 0.40 kJ/mol NIST
ΔcH°solid -7840.00 ± 3.50 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
EA [0.39; 0.59] eV Show Hide
EA 0.41 ± 0.01 eV NIST
EA 0.39 eV NIST
EA 0.50 ± 0.03 eV NIST
EA 0.59 ± 0.01 eV NIST
ΔfG° 327.20 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas [214.90; 225.70] kJ/mol Show Hide
ΔfH°gas 225.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas 225.50 ± 2.50 kJ/mol NIST
ΔfH°gas 225.70 ± 1.30 kJ/mol NIST
ΔfH°gas 214.90 kJ/mol NIST
ΔfH°gas 214.90 kJ/mol NIST
ΔfH°solid [114.70; 125.50] kJ/mol Show Hide
ΔfH°solid 125.20 ± 2.30 kJ/mol NIST
ΔfH°solid 125.50 ± 1.20 kJ/mol NIST
ΔfH°solid 114.70 ± 0.40 kJ/mol NIST
ΔfH°solid 114.70 ± 3.60 kJ/mol NIST
ΔfusH° 24.49 kJ/mol Joback Calculated Property
ΔsubH° [98.50; 104.50] kJ/mol Show Hide
ΔsubH° 104.50 kJ/mol NIST
ΔsubH° 100.30 ± 1.00 kJ/mol NIST
ΔsubH° 98.50 ± 1.00 kJ/mol NIST
ΔsubH° 100.20 ± 0.40 kJ/mol NIST
ΔsubH° 100.20 kJ/mol NIST
ΔvapH° [87.20; 92.40] kJ/mol Show Hide
ΔvapH° 92.40 ± 1.10 kJ/mol NIST
ΔvapH° 87.20 ± 1.30 kJ/mol NIST
IE [7.31; 7.72] eV Show Hide
IE 7.43 ± 0.00 eV NIST
IE 7.43 ± 0.00 eV NIST
IE 7.40 eV NIST
IE 7.50 ± 0.05 eV NIST
IE 7.41 eV NIST
IE 7.45 ± 0.01 eV NIST
IE 7.70 ± 0.30 eV NIST
IE 7.70 eV NIST
IE 7.31 eV NIST
IE Outlier 7.72 eV NIST
IE 7.48 eV NIST
IE 7.45 eV NIST
IE 7.55 eV NIST
IE 7.53 eV NIST
IE 7.58 eV NIST
IE 7.42 eV NIST
IE 7.41 eV NIST
IE 7.41 eV NIST
log10WS [-6.18; -6.17]   Show Hide
log10WS -6.17 Aq. Solubility Prediction
log10WS -6.18 Estimated Solubility
logPoct/wat 4.584 Crippen Calculated Property
McVol 158.460 ml/mol McGowan Calculated Property
Pc [2604.05; 2721.00] kPa Show Hide
Pc 2604.05 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2610.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2721.00 kPa KDB
Ptriple 0.07 kPa ChemSep v8.3 pure component data Compiled value
Inp [340.00; 2136.00]   Show Hide
Inp 2103.00 NIST
Inp 2119.00 NIST
Inp 2101.00 NIST
Inp 2113.40 NIST
Inp 2113.40 NIST
Inp 2082.60 NIST
Inp 2113.40 NIST
Inp 2132.50 NIST
Inp 2080.40 NIST
Inp 2126.40 NIST
Inp 2095.80 NIST
Inp 2082.60 NIST
Inp 2113.40 NIST
Inp 2132.50 NIST
Inp 2113.40 NIST
Inp 2113.40 NIST
Inp 2049.68 NIST
Inp 2060.85 NIST
Inp 2069.40 NIST
Inp 2069.26 NIST
Inp 2091.45 NIST
Inp 2073.47 NIST
Inp 2057.00 NIST
Inp 2041.00 NIST
Inp 2054.00 NIST
Inp 2055.00 NIST
Inp 2055.00 NIST
Inp 2055.00 NIST
Inp 2055.00 NIST
Inp 2070.00 NIST
Inp 2070.00 NIST
Inp 2070.00 NIST
Inp 2070.00 NIST
Inp 2078.00 NIST
Inp 2079.00 NIST
Inp 2080.00 NIST
Inp 2086.00 NIST
Inp 2086.00 NIST
Inp 2093.00 NIST
Inp 2063.99 NIST
Inp 2048.56 NIST
Inp 2070.00 NIST
Inp 2040.00 NIST
Inp 2069.70 NIST
Inp 2120.64 NIST
Inp 2136.00 NIST
Inp 2044.00 NIST
Inp 2089.00 NIST
Inp 2042.00 NIST
Inp 2061.00 NIST
Inp 2103.00 NIST
Inp 2104.00 NIST
Inp 2109.00 NIST
Inp 2109.00 NIST
Inp 2112.00 NIST
Inp 2114.00 NIST
Inp 2134.00 NIST
Inp 2135.00 NIST
Inp 2085.00 NIST
Inp 2096.00 NIST
Inp 2103.00 NIST
Inp 2114.00 NIST
Inp 2077.00 NIST
Inp 2046.00 NIST
Inp 2061.00 NIST
Inp 348.91 NIST
Inp 348.12 NIST
Inp 350.72 NIST
Inp 351.42 NIST
Inp 350.67 NIST
Inp 351.74 NIST
Inp 353.42 NIST
Inp 351.60 NIST
Inp 340.00 NIST
Inp 340.00 NIST
Inp 351.22 NIST
Inp 352.80 NIST
Inp 352.67 NIST
Inp 351.91 NIST
Inp 352.54 NIST
Inp 352.72 NIST
Inp 352.85 NIST
Inp 352.13 NIST
Inp 352.18 NIST
Inp 352.27 NIST
Inp 352.29 NIST
Inp 352.36 NIST
Inp 352.41 NIST
Inp 352.65 NIST
Inp 352.65 NIST
Inp 352.33 NIST
Inp 352.37 NIST
Inp 346.60 NIST
Inp 346.60 NIST
Inp 351.86 NIST
Inp 351.88 NIST
Inp 351.51 NIST
Inp 353.40 NIST
Inp 351.40 NIST
Inp 352.90 NIST
Inp 352.52 NIST
Inp 351.63 NIST
Inp 351.87 NIST
Inp 351.91 NIST
Inp 351.22 NIST
Inp 352.77 NIST
Inp 361.60 NIST
Inp 365.40 NIST
Inp 352.09 NIST
Inp 347.41 NIST
Inp 352.16 NIST
Inp 351.51 NIST
Inp 351.22 NIST
Inp 351.00 NIST
Inp 352.41 NIST
Inp 351.91 NIST
Inp 352.41 NIST
Inp 348.10 NIST
Inp 346.30 NIST
Inp 400.00 NIST
Inp 348.28 NIST
Inp 348.46 NIST
Inp 346.00 NIST
Inp 348.10 NIST
Inp 350.30 NIST
Inp 351.20 NIST
Inp 352.80 NIST
Inp 348.43 NIST
Inp 348.46 NIST
Inp 350.71 NIST
Inp 351.22 NIST
Inp 350.52 NIST
Inp 350.79 NIST
Inp 351.22 NIST
Inp 351.51 NIST
Inp 351.47 NIST
Inp 351.88 NIST
Inp 350.83 NIST
Inp 353.20 NIST
Inp 352.30 NIST
Inp 348.09 NIST
Inp 351.22 NIST
Inp 351.22 NIST
Inp 351.98 NIST
Inp 352.88 NIST
Inp 351.80 NIST
Inp 351.22 NIST
Inp 347.32 NIST
Inp 347.87 NIST
Inp 348.49 NIST
Inp 349.15 NIST
Inp 350.66 NIST
Inp 351.22 NIST
Inp 352.30 NIST
Inp 353.34 NIST
Inp 2103.00 NIST
Inp 2114.00 NIST
Inp 2069.70 NIST
Inp 2042.00 NIST
Inp 2113.40 NIST
Inp 2080.40 NIST
Inp 2132.50 NIST
Inp 2069.40 NIST
Inp 2041.00 NIST
Inp 2055.00 NIST
Inp 2078.00 NIST
Inp 2093.00 NIST
Inp 351.60 NIST
Inp 352.67 NIST
Inp 352.13 NIST
Inp 352.41 NIST
Inp 346.60 NIST
Inp 353.40 NIST
Inp 351.87 NIST
Inp 365.40 NIST
Inp 351.22 NIST
Inp 351.00 NIST
Inp 346.30 NIST
Inp 348.10 NIST
Inp 348.46 NIST
Inp 353.20 NIST
Inp 351.98 NIST
Inp 347.87 NIST
Inp 352.30 NIST
Inp 348.91 NIST
Inp 351.74 NIST
Ip [3135.00; 3183.00]   Show Hide
Ip 3183.00 NIST
Ip 3183.00 NIST
Ip 3160.00 NIST
Ip 3135.00 NIST
Ip 3160.00 NIST
S°solid,1 bar [215.10; 224.89] J/mol×K Show Hide
S°solid,1 bar 224.89 J/mol×K NIST
S°solid,1 bar 215.10 J/mol×K NIST
Tboil [666.00; 667.95] K Show Hide
Tboil 667.95 K ChemSep v8.3 pure component data Compiled value
Tboil 666.00 K KDB
Tc [936.00; 974.00] K Show Hide
Tc 974.00 K Critical point measurement of some polycyclic aromatic hydrocarbons
Tc 938.20 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 936.00 K ChemSep v8.3 pure component data Compiled value
Tc 938.20 K KDB
Tfus [421.25; 427.00] K Show Hide
Tfus 423.90 K Experimental and computational thermodynamics of pyrene and 1-pyrenecarboxaldehyde and their photophysical properties
Tfus 423.90 K Isothermal Thermogravimetric Study for Determining Sublimation Enthalpies of Some Hydroxyflavones
Tfus 424.35 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 423.81 K ChemSep v8.3 pure component data Compiled value
Tfus 423.80 K KDB
Tfus 425.83 K Aq. Solubility Prediction
Tfus 424.30 ± 0.60 K NIST
Tfus 425.40 ± 0.30 K NIST
Tfus 424.50 ± 0.10 K NIST
Tfus Outlier 427.00 ± 2.00 K NIST
Tfus Outlier 421.25 ± 1.00 K NIST
Tfus 424.15 ± 1.50 K NIST
Tfus 425.70 ± 1.00 K NIST
Tfus 423.60 ± 0.30 K NIST
Ttriple [423.81; 423.81] K Show Hide
Ttriple 423.81 K ChemSep v8.3 pure component data Compiled value
Ttriple 423.81 ± 0.01 K NIST
Ttriple 423.81 ± 0.01 K NIST
UQi 4.50 ChemSep v8.3 pure component data Compiled value
URi 7.19 ChemSep v8.3 pure component data Compiled value
Vc [0.626; 0.660] m3/kmol Show Hide
Vc 0.626 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.660 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.626 m3/kmol KDB
Zc [0.2183590; 0.2210000]   Show Hide
Zc 0.2210000 ChemSep v8.3 pure component data Compiled value
Zc 0.2183590 KDB
Zra 0.22 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [352.30; 455.90] J/mol×K [430.00; 590.00] Show Hide
Cp,liquid 352.30 J/mol×K 430.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 357.70 J/mol×K 440.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 363.20 J/mol×K 450.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 368.90 J/mol×K 460.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 374.80 J/mol×K 470.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 380.80 J/mol×K 480.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 386.90 J/mol×K 490.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 393.20 J/mol×K 500.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 399.60 J/mol×K 510.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 406.10 J/mol×K 520.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 412.80 J/mol×K 530.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 419.60 J/mol×K 540.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 426.60 J/mol×K 550.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 433.70 J/mol×K 560.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 441.00 J/mol×K 570.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 448.40 J/mol×K 580.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 455.90 J/mol×K 590.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid [227.65; 229.70] J/mol×K [291.10; 298.15] Show Hide
Cp,solid 227.65 J/mol×K 291.10 NIST
Cp,solid 229.36 J/mol×K 298.15 NIST
Cp,solid 229.70 J/mol×K 298.15 NIST
ΔfusH [0.29; 17.36] kJ/mol [120.80; 423.80] Show Hide
ΔfusH 0.29 kJ/mol 120.80 NIST
ΔfusH 16.70 kJ/mol 418.00 NIST
ΔfusH 17.36 kJ/mol 423.80 NIST
ΔfusH 17.36 kJ/mol 423.80 NIST
ΔsubH [91.20; 103.30] kJ/mol [303.00; 410.50] Show Hide
ΔsubH 91.20 ± 0.50 kJ/mol 303.00 NIST
ΔsubH 100.50 kJ/mol 330.50 NIST
ΔsubH 94.14 kJ/mol 344.75 NIST
ΔsubH 100.10 ± 1.70 kJ/mol 351.50 NIST
ΔsubH 103.10 ± 6.50 kJ/mol 353.00 NIST
ΔsubH 100.30 ± 0.30 kJ/mol 376.00 NIST
ΔsubH 103.30 ± 2.10 kJ/mol 379.50 NIST
ΔsubH 97.90 kJ/mol 383.00 NIST
ΔsubH 100.80 ± 1.50 kJ/mol 383.50 NIST
ΔsubH 100.20 ± 0.40 kJ/mol 410.50 NIST
ΔvapH [73.00; 105.60] kJ/mol [298.15; 590.50] Show Hide
ΔvapH 105.60 kJ/mol 298.15 Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
ΔvapH 78.60 kJ/mol 398.00 NIST
ΔvapH 76.40 kJ/mol 428.00 NIST
ΔvapH 81.50 kJ/mol 435.00 Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
ΔvapH 76.00 kJ/mol 440.00 NIST
ΔvapH 73.00 kJ/mol 590.50 NIST
Psub [3.64e-06; 0.03] kPa [313.61; 408.05] Show Hide
Psub 3.64e-06 kPa 313.61 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 8.95e-06 kPa 322.00 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 1.41e-05 kPa 323.81 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 4.56e-05 kPa 333.53 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 5.31e-05 kPa 337.10 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 7.50e-05 kPa 341.45 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 9.43e-05 kPa 342.10 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 1.21e-04 kPa 343.36 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 1.47e-04 kPa 347.10 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 1.71e-04 kPa 351.05 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 2.27e-04 kPa 352.30 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 3.29e-04 kPa 353.24 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 3.39e-04 kPa 356.80 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 5.99e-04 kPa 362.10 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 8.27e-04 kPa 363.63 Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub 8.82e-04 kPa 369.85 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 1.30e-03 kPa 372.00 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 1.47e-03 kPa 373.95 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 1.97e-03 kPa 379.55 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 2.81e-03 kPa 381.40 Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub 4.72e-03 kPa 383.95 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 5.39e-03 kPa 389.05 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 8.46e-03 kPa 392.95 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 0.01 kPa 398.55 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 0.02 kPa 402.05 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub 0.03 kPa 408.05 Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Pvap [3.22e-06; 2.84] kPa [298.15; 510.00] Show Hide
Pvap 3.22e-06 kPa 298.15 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 4.07e-06 kPa 300.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 1.34e-05 kPa 310.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 4.06e-05 kPa 320.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 1.13e-04 kPa 330.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 2.92e-04 kPa 340.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 7.06e-04 kPa 350.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 1.60e-03 kPa 360.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 3.43e-03 kPa 370.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 6.97e-03 kPa 380.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.01 kPa 390.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.03 kPa 400.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.04 kPa 410.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.08 kPa 420.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.13 kPa 430.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.21 kPa 440.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.32 kPa 450.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.49 kPa 460.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 0.72 kPa 470.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 1.05 kPa 480.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 1.49 kPa 490.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 2.08 kPa 500.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap 2.84 kPa 510.00 Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
ρl 1274.21 kg/m3 293.10 KDB
ΔfusS [2.39; 40.97] J/mol×K [120.80; 423.80] Show Hide
ΔfusS 2.39 J/mol×K 120.80 NIST
ΔfusS 40.97 J/mol×K 423.80 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [125.31; 555.06] J/mol×K [150.00; 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 A1.17680e+02
Coefficient B-7.54300e+02
Coefficient C7.16024e+00
Coefficient D-6.91650e-04
Coefficient E2.04840e-07
Temperature range, min.150.00
Temperature range, max.1500.00
Cp,gas 125.31 J/mol×K 150.00 Calculated Property
Cp,gas 203.90 J/mol×K 300.00 Calculated Property
Cp,gas 301.56 J/mol×K 450.00 Calculated Property
Cp,gas 377.98 J/mol×K 600.00 Calculated Property
Cp,gas 432.18 J/mol×K 750.00 Calculated Property
Cp,gas 470.36 J/mol×K 900.00 Calculated Property
Cp,gas 498.17 J/mol×K 1050.00 Calculated Property
Cp,gas 519.76 J/mol×K 1200.00 Calculated Property
Cp,gas 538.03 J/mol×K 1350.00 Calculated Property
Cp,gas 555.06 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [348.91; 447.95] J/mol×K [423.81; 600.00] 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 A1.49400e+02
Coefficient B-9.44680e+01
Coefficient C4.22024e+00
Coefficient D3.87460e-03
Coefficient E-1.91280e-06
Temperature range, min.423.81
Temperature range, max.600.00
Cp,liquid 348.91 J/mol×K 423.81 Calculated Property
Cp,liquid 359.82 J/mol×K 443.39 Calculated Property
Cp,liquid 370.81 J/mol×K 462.96 Calculated Property
Cp,liquid 381.86 J/mol×K 482.54 Calculated Property
Cp,liquid 392.96 J/mol×K 502.12 Calculated Property
Cp,liquid 404.06 J/mol×K 521.69 Calculated Property
Cp,liquid 415.14 J/mol×K 541.27 Calculated Property
Cp,liquid 426.17 J/mol×K 560.85 Calculated Property
Cp,liquid 437.12 J/mol×K 580.42 Calculated Property
Cp,liquid 447.95 J/mol×K 600.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0021392; 0.0002484] Pa×s [423.35; 667.95] 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-1.31900e+02
Coefficient B8.59710e+03
Coefficient C1.77460e+01
Coefficient D-1.05230e-05
Coefficient E2.00000e+00
Temperature range, min.423.35
Temperature range, max.667.95
η 0.0021392 Pa×s 423.35 Calculated Property
η 0.0014765 Pa×s 450.53 Calculated Property
η 0.0010811 Pa×s 477.71 Calculated Property
η 0.0008271 Pa×s 504.88 Calculated Property
η 0.0006533 Pa×s 532.06 Calculated Property
η 0.0005278 Pa×s 559.24 Calculated Property
η 0.0004330 Pa×s 586.42 Calculated Property
η 0.0003586 Pa×s 613.59 Calculated Property
η 0.0002984 Pa×s 640.77 Calculated Property
η 0.0002484 Pa×s 667.95 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [76.79; 31.72] kJ/mol [423.81; 909.04] 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 A9.19884e+01
Coefficient B-2.24752e-01
Coefficient C1.99000e+00
Coefficient D-2.13989e+00
Coefficient E6.66532e-01
Critical temperature, Tc (K)9.36000e+02
Temperature range, min.423.81
Temperature range, max.909.04
ΔvapH 76.79 kJ/mol 423.81 Calculated Property
ΔvapH 73.09 kJ/mol 477.72 Calculated Property
ΔvapH 69.31 kJ/mol 531.64 Calculated Property
ΔvapH 65.49 kJ/mol 585.55 Calculated Property
ΔvapH 61.62 kJ/mol 639.47 Calculated Property
ΔvapH 57.65 kJ/mol 693.38 Calculated Property
ΔvapH 53.43 kJ/mol 747.30 Calculated Property
ΔvapH 48.64 kJ/mol 801.21 Calculated Property
ΔvapH 42.48 kJ/mol 855.13 Calculated Property
ΔvapH 31.72 kJ/mol 909.04 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [493.83; 710.16] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.50707e+01
Coefficient B-6.21237e+03
Coefficient C-7.35980e+01
Temperature range, min.493.83
Temperature range, max.710.16
Pvap 1.33 kPa 493.83 Calculated Property
Pvap 2.97 kPa 517.87 Calculated Property
Pvap 6.08 kPa 541.90 Calculated Property
Pvap 11.62 kPa 565.94 Calculated Property
Pvap 20.91 kPa 589.98 Calculated Property
Pvap 35.70 kPa 614.01 Calculated Property
Pvap 58.24 kPa 638.05 Calculated Property
Pvap 91.30 kPa 662.09 Calculated Property
Pvap 138.16 kPa 686.12 Calculated Property
Pvap 202.64 kPa 710.16 Calculated Property
Pvap [0.07; 2525.04] kPa [423.81; 936.00] 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 A6.20063e+01
Coefficient B-1.16289e+04
Coefficient C-6.18433e+00
Coefficient D6.42072e-07
Coefficient E2.00000e+00
Temperature range, min.423.81
Temperature range, max.936.00
Pvap 0.07 kPa 423.81 Calculated Property
Pvap 0.80 kPa 480.72 Calculated Property
Pvap 5.37 kPa 537.63 Calculated Property
Pvap 23.80 kPa 594.54 Calculated Property
Pvap 78.14 kPa 651.45 Calculated Property
Pvap 205.29 kPa 708.36 Calculated Property
Pvap 455.41 kPa 765.27 Calculated Property
Pvap 886.63 kPa 822.18 Calculated Property
Pvap 1558.26 kPa 879.09 Calculated Property
Pvap 2525.04 kPa 936.00 Calculated Property
Pvap [0.06; 2514.24] kPa [423.81; 936.00] 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 A8.81031e+01
Coefficient B-1.32178e+04
Coefficient C-9.93042e+00
Coefficient D2.04131e-06
Coefficient E0.00000e+00
Temperature range, min.423.81
Temperature range, max.936.00
Pvap 0.06 kPa 423.81 Calculated Property
Pvap 0.78 kPa 480.72 Calculated Property
Pvap 5.33 kPa 537.63 Calculated Property
Pvap 23.55 kPa 594.54 Calculated Property
Pvap 76.58 kPa 651.45 Calculated Property
Pvap 199.28 kPa 708.36 Calculated Property
Pvap 439.73 kPa 765.27 Calculated Property
Pvap 857.32 kPa 822.18 Calculated Property
Pvap 1521.70 kPa 879.09 Calculated Property
Pvap 2514.24 kPa 936.00 Calculated Property
Pvap [0.34; 100.91] kPa [473.60; 667.90] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.07925e+01
Coefficient B-2.50250e+03
Coefficient C-2.62849e+02
ReferenceTsypkina, 1955
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.473.60
Temperature range, max.667.90
Pvap 0.34 kPa 473.60 Calculated Property
Pvap 1.02 kPa 495.19 Calculated Property
Pvap 2.55 kPa 516.78 Calculated Property
Pvap 5.53 kPa 538.37 Calculated Property
Pvap 10.69 kPa 559.96 Calculated Property
Pvap 18.92 kPa 581.54 Calculated Property
Pvap 31.14 kPa 603.13 Calculated Property
Pvap 48.28 kPa 624.72 Calculated Property
Pvap 71.27 kPa 646.31 Calculated Property
Pvap 100.91 kPa 667.90 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1232.24; 544.77] kg/m3 [293.15; 909.04] 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 A1.09765e+02
Coefficient B2.71650e-01
Coefficient C9.36000e+02
Coefficient D4.15220e-01
Temperature range, min.293.15
Temperature range, max.909.04
ρl 1232.24 kg/m3 293.15 Calculated Property
ρl 1171.07 kg/m3 361.58 Calculated Property
ρl 1108.85 kg/m3 430.01 Calculated Property
ρl 1045.21 kg/m3 498.45 Calculated Property
ρl 979.63 kg/m3 566.88 Calculated Property
ρl 911.32 kg/m3 635.31 Calculated Property
ρl 838.99 kg/m3 703.74 Calculated Property
ρl 760.24 kg/m3 772.18 Calculated Property
ρl 669.49 kg/m3 840.61 Calculated Property
ρl 544.77 kg/m3 909.04 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 6.38e-04] N/m [423.81; 909.04] 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-7.32900e-03
Coefficient B3.46590e+02
Coefficient C-4.66960e+00
Coefficient D3.65690e-03
Coefficient E-4.68130e-06
Temperature range, min.423.81
Temperature range, max.909.04
γ 0.04 N/m 423.81 Calculated Property
γ 0.03 N/m 477.72 Calculated Property
γ 0.03 N/m 531.64 Calculated Property
γ 0.02 N/m 585.55 Calculated Property
γ 0.02 N/m 639.47 Calculated Property
γ 0.01 N/m 693.38 Calculated Property
γ 0.01 N/m 747.30 Calculated Property
γ 0.01 N/m 801.21 Calculated Property
γ 0.00 N/m 855.13 Calculated Property
γ 6.38e-04 N/m 909.04 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.05] W/m×K [423.81; 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 A9.25030e-05
Coefficient B9.74530e-01
Coefficient C6.47350e+02
Coefficient D4.55030e+04
Temperature range, min.423.81
Temperature range, max.1000.00
λgas 0.01 W/m×K 423.81 Calculated Property
λgas 0.02 W/m×K 487.83 Calculated Property
λgas 0.02 W/m×K 551.85 Calculated Property
λgas 0.02 W/m×K 615.87 Calculated Property
λgas 0.03 W/m×K 679.89 Calculated Property
λgas 0.03 W/m×K 743.92 Calculated Property
λgas 0.03 W/m×K 807.94 Calculated Property
λgas 0.04 W/m×K 871.96 Calculated Property
λgas 0.04 W/m×K 935.98 Calculated Property
λgas 0.05 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.12; 0.12] W/m×K [288.65; 550.00] 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 A1.01650e-01
Coefficient B-7.31420e+02
Coefficient C7.57120e-01
Coefficient D-7.98460e-03
Coefficient E2.83170e-06
Temperature range, min.288.65
Temperature range, max.550.00
λliquid 0.12 W/m×K 288.65 Calculated Property
λliquid 0.12 W/m×K 317.69 Calculated Property
λliquid 0.12 W/m×K 346.73 Calculated Property
λliquid 0.12 W/m×K 375.77 Calculated Property
λliquid 0.12 W/m×K 404.81 Calculated Property
λliquid 0.12 W/m×K 433.84 Calculated Property
λliquid 0.12 W/m×K 462.88 Calculated Property
λliquid 0.12 W/m×K 491.92 Calculated Property
λliquid 0.12 W/m×K 520.96 Calculated Property
λliquid 0.12 W/m×K 550.00 Calculated Property

Similar Compounds

Benzo[rst]dinaphtho[8,1,2-cde!2',1',8'-klm]pentaphene. Benzo[lm]naphtho[1,8-ab]perylene. Dibenzo[hi,kl]naphtho[8,1,2-abc]coronene. Dinaphtho[8,1,2-abc!2',1',8'-nop]coronene. Dinaphtho[8,1,2-cde!7',8',1',2',3'-pqrst]pentaphene. Dinaphtho[2,1,8,7-defg!2',1',8',7'-ijkl]pentaphene. Pyreno[10,1,2-abc]coronene. Perylene. Dibenzo[def,mno]chrysene. peri-Pentacenopentacene. Benzo[pqr]naphtho[8,1,2-cde]picene. Anthra[2,1,9,8,7-defghi]benzo[op]pentacene. Dibenzo[kl,rst]naphtho[2,1,8,7-defg]pentaphene. Dibenzo[de,kl]pentaphene. Dibenzo[ghi,lm]naphtho[1,8-ab]perylene.

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Mixtures

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Sources

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