Chemical Properties of Perhydrophenanthrene, 1B-(3S,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl

Perhydrophenanthrene, 1B-(3S,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl

InChI
InChI=1S/C30H56/c1-9-22(2)12-10-13-23(3)14-16-25-24(4)15-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h22-27H,9-21H2,1-8H3/t22?,23-,24+,25-,26?,27?,29+,30+/m1/s1
InChI Key
LKFHRJUTBBHMDC-WMKZCOPOSA-N
Formula
C30H56
SMILES
CCC(C)CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C
Molecular Weight1
416.77
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 35.70 kJ/mol Joback Calculated Property
logPoct/wat 9.914 Crippen Calculated Property
McVol 400.980 ml/mol McGowan Calculated Property
Inp [3009.00; 3009.00]   Show Hide
Inp 3009.00 NIST
Inp 3009.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [543.75; 1564.87] 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-3.30294e+02
Coefficient B4.04016e+00
Coefficient C-3.41940e-03
Coefficient D1.27440e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 543.75 J/mol×K 273.00 Calculated Property
Cp,gas 727.49 J/mol×K 353.78 Calculated Property
Cp,gas 884.24 J/mol×K 434.56 Calculated Property
Cp,gas 1018.06 J/mol×K 515.33 Calculated Property
Cp,gas 1132.96 J/mol×K 596.11 Calculated Property
Cp,gas 1232.99 J/mol×K 676.89 Calculated Property
Cp,gas 1322.16 J/mol×K 757.67 Calculated Property
Cp,gas 1404.51 J/mol×K 838.44 Calculated Property
Cp,gas 1484.07 J/mol×K 919.22 Calculated Property
Cp,gas 1564.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Perhydrophenanthrene, 1A-(3R/S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1A-(3R/S,7-dimethyldecyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-(3-methylpentyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-(3R,7-dimethyldecyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1A-(3R/S-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-(3R-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl. 8-«beta»(H)-Homodrimane. Perhydrophenanthrene, 1B-(3S-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl. 7-Ethyl-1,1,4a-trimethyl-tetradecahydro-phenanthrene. Perhydrophenanthrene, 1B-(3S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-ethyl-2B,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-ethyl-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-butyl-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1A-butyl-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-(3R-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl.

Find more compounds similar to Perhydrophenanthrene, 1B-(3S,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.