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
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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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [321.22; 952.43] 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-2.43190e+02
Coefficient B2.64080e+00
Coefficient C-2.34628e-03
Coefficient D9.01100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 321.22 J/mol×K 273.00 Calculated Property
Cp,gas 437.31 J/mol×K 353.78 Calculated Property
Cp,gas 535.26 J/mol×K 434.56 Calculated Property
Cp,gas 617.93 J/mol×K 515.33 Calculated Property
Cp,gas 688.15 J/mol×K 596.11 Calculated Property
Cp,gas 748.79 J/mol×K 676.89 Calculated Property
Cp,gas 802.68 J/mol×K 757.67 Calculated Property
Cp,gas 852.69 J/mol×K 838.44 Calculated Property
Cp,gas 901.65 J/mol×K 919.22 Calculated Property
Cp,gas 952.43 J/mol×K 1000.00 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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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