Chemical Properties of Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-

Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-

InChI
InChI=1S/C18H24/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h9,11,14,16H,1-8,10,12H2
InChI Key
DISXLARWFONJQP-UHFFFAOYSA-N
Formula
C18H24
SMILES
c1cc2c(c3c1CCCC3)CCC1CCCCC21
Molecular Weight1
240.39
Other Names
  • 1,2,3,4,4a,7,8,9,10,11,12,12a-Dodecahydrochrysene
  • 1,2,3,4,5,6,6a,7,8,9,10,10a-Dodecahydrochrysene
  • NSC 114857
  • 1,2,3,4,4A,7,8,9,10,12,12a-dodecahydrochrysene
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Physical Properties

Property Value Unit Source
ΔfusH° 22.28 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
logPoct/wat 4.785 Crippen Calculated Property
McVol 208.140 ml/mol McGowan Calculated Property
Tboil 639.27 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 115.40 kJ/mol 303.00 NIST
ΔvapH 84.20 kJ/mol 338.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [250.46; 758.21] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.76510e+02
Coefficient B1.90680e+00
Coefficient C-1.36228e-03
Coefficient D3.90200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.46 J/mol×K 273.00 Calculated Property
Cp,gas 344.85 J/mol×K 353.78 Calculated Property
Cp,gas 426.87 J/mol×K 434.56 Calculated Property
Cp,gas 497.75 J/mol×K 515.33 Calculated Property
Cp,gas 558.73 J/mol×K 596.11 Calculated Property
Cp,gas 611.03 J/mol×K 676.89 Calculated Property
Cp,gas 655.90 J/mol×K 757.67 Calculated Property
Cp,gas 694.56 J/mol×K 838.44 Calculated Property
Cp,gas 728.25 J/mol×K 919.22 Calculated Property
Cp,gas 758.21 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0026806; 0.0008341] Pa×s [404.10; 657.09] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-8.95374e+00
Coefficient B1.22524e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.404.10
Temperature range, max.657.09
η 0.0026806 Pa×s 404.10 Calculated Property
η 0.0022008 Pa×s 432.21 Calculated Property
η 0.0018510 Pa×s 460.32 Calculated Property
η 0.0015881 Pa×s 488.43 Calculated Property
η 0.0013855 Pa×s 516.54 Calculated Property
η 0.0012258 Pa×s 544.65 Calculated Property
η 0.0010977 Pa×s 572.76 Calculated Property
η 0.0009931 Pa×s 600.87 Calculated Property
η 0.0009066 Pa×s 628.98 Calculated Property
η 0.0008341 Pa×s 657.09 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [2.36e-05; 9.04e-04] kPa [318.00; 358.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A-9.22323e-01
Coefficient B-6.49946e+02
Coefficient C-2.51204e+02
ReferenceMorecroft, 1964
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.318.00
Temperature range, max.358.00
Pvap 2.36e-05 kPa 318.00 Calculated Property
Pvap 4.34e-05 kPa 322.44 Calculated Property
Pvap 7.41e-05 kPa 326.89 Calculated Property
Pvap 1.19e-04 kPa 331.33 Calculated Property
Pvap 1.83e-04 kPa 335.78 Calculated Property
Pvap 2.68e-04 kPa 340.22 Calculated Property
Pvap 3.80e-04 kPa 344.67 Calculated Property
Pvap 5.21e-04 kPa 349.11 Calculated Property
Pvap 6.94e-04 kPa 353.56 Calculated Property
Pvap 9.04e-04 kPa 358.00 Calculated Property

Similar Compounds

Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-6-octyl-. 1,2,3,4,4a,9,10,10a-Octahydrophenanthrene (trans). 1,2,3,4,4a,9,10,10a-Octahydrophenanthrene (cis). 1,3,5(10)-Oestratriene. 3-Ethyl-5b,8,8,11a-tetramethyl-2,3, 5b,6,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H-cyclopenta[a]chrysene. 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene. Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 2-(2,3-Dimethylphenyl)adamantane. Calamenene II. «alpha»-Calamenene. Calamenene I. 1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl) naphthalene. Calamenene. trans-Calamenene.

Find more compounds similar to Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-.

Sources

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