Chemical Properties of Abietadiene (CAS 35241-40-8)

Abietadiene

InChI
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3
InChI Key
BBPXZLJCPUPNGH-UHFFFAOYSA-N
Formula
C20H32
SMILES
CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1
Molecular Weight1
272.47
CAS
35241-40-8
Other Names
  • Abieta-7,13-diene
  • Abitadiene
  • 7,13-abietadiene
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° 18.08 kJ/mol Joback Calculated Property
log10WS -6.44 Relay (1.0) Calculated Property
logPoct/wat 6.142 Crippen Calculated Property
McVol 251.480 ml/mol McGowan Calculated Property
Inp [2044.00; 2107.20]   Show Hide
Inp Outlier 2044.00 NIST
Inp 2068.00 NIST
Inp 2088.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2080.00 NIST
Inp 2102.00 NIST
Inp 2071.00 NIST
Inp 2067.00 NIST
Inp 2064.00 NIST
Inp 2082.00 NIST
Inp 2080.00 NIST
Inp 2082.00 NIST
Inp Outlier 2107.20 NIST
Inp 2072.00 NIST
Inp 2080.00 NIST
Inp 2073.00 NIST
Inp 2080.00 NIST
Inp 2088.00 NIST
Inp 2055.00 NIST
Inp 2061.00 NIST
Inp 2080.00 NIST
Inp 2088.00 NIST
Inp 2088.00 NIST
Inp 2088.00 NIST
Inp 2060.00 NIST
Inp 2080.00 NIST
Inp 2102.00 NIST
I [2410.00; 2450.00]   Show Hide
I 2410.00 NIST
I 2447.00 NIST
I 2450.00 NIST
I 2449.00 NIST
I 2449.00 NIST
I 2410.00 NIST
Tfus 331.22 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 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
Cp,gas [766.41; 912.04] J/mol×K [702.42; 936.13] Show Hide
Cp,gas 766.41 J/mol×K 702.42 Joback Calculated Property
Cp,gas 792.22 J/mol×K 741.37 Joback Calculated Property
Cp,gas 816.98 J/mol×K 780.32 Joback Calculated Property
Cp,gas 841.02 J/mol×K 819.27 Joback Calculated Property
Cp,gas 864.67 J/mol×K 858.23 Joback Calculated Property
Cp,gas 888.23 J/mol×K 897.18 Joback Calculated Property
Cp,gas 912.04 J/mol×K 936.13 Joback Calculated Property

Similar Compounds

(4aS,4bS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene. Dehydroabietene. Abietal. 4-epi-Abietal. (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene. Abieta-8(14),13(15)-diene. Cascarilladiene. (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde. Abieta-7,13-dien-3-one. 1-epi-«alpha»-Pinguisene. (-)-(4S,5R,7S)-7-epi-Eremophyla-1(10),8,11-triene. (-)-7-epi-Eremophila-1(10),8,11-triene. Stigmastan-3,5,22-trien. «alpha»-Barbatenal. Himachala-2,4-diene.

Find more compounds similar to Abietadiene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.