Chemical Properties of Epidehydroabietol

Epidehydroabietol

InChI
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18?,19-,20-/m0/s1
InChI Key
WSKGRAGZAQRSED-YPJRHXLCSA-N
Formula
C20H30O
SMILES
CC(C)c1ccc2c(c1)CCC1C(C)(CO)CCCC21C
Molecular Weight1
286.45
Other Names
  • 4-epi-Dehydroabietol
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° 21.93 kJ/mol Joback Calculated Property
logPoct/wat 4.813 Crippen Calculated Property
McVol 253.050 ml/mol McGowan Calculated Property
Inp [2326.00; 2332.00]   Show Hide
Inp 2332.00 NIST
Inp 2326.00 NIST
Tfus 369.29 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [327.53; 930.10] 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-2.21759e+02
Coefficient B2.58578e+00
Coefficient C-2.35232e-03
Coefficient D9.18400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 327.53 J/mol×K 273.00 Calculated Property
Cp,gas 439.28 J/mol×K 353.78 Calculated Property
Cp,gas 533.06 J/mol×K 434.56 Calculated Property
Cp,gas 611.77 J/mol×K 515.33 Calculated Property
Cp,gas 678.30 J/mol×K 596.11 Calculated Property
Cp,gas 735.57 J/mol×K 676.89 Calculated Property
Cp,gas 786.48 J/mol×K 757.67 Calculated Property
Cp,gas 833.94 J/mol×K 838.44 Calculated Property
Cp,gas 880.84 J/mol×K 919.22 Calculated Property
Cp,gas 930.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 4-epi-Dehydroabietinol acetate. Dehydroabietol benzoate. Dehydroabietic acid. Methyl 8,11,13-Abietadien-18-oate. Methyl dehydroabietate. DEHYDROABIETIC ACID, TRIMETHYLSILYL ESTER. Dehydroabietol cinnamate. Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene. Dehydroabietol ethyl benzoate. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]-. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-. 18-norabieta-8,11,13-triene.

Find more compounds similar to Epidehydroabietol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.