Chemical Properties of (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde (CAS 19898-57-8)

(1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde

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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/h12-13,17-18H,5-11H2,1-4H3
InChI Key
JPCTZWFFRZZTMM-UHFFFAOYSA-N
Formula
C20H30O
SMILES
CC(C)=C1C=C2CCC3C(C)(C=O)CCCC3(C)C2CC1
Molecular Weight1
286.45
CAS
19898-57-8
Other Names
  • Neoabietal
  • Neoabietinal
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Physical Properties

Property Value Unit Source
ΔfG° 178.30 kJ/mol Joback Calculated Property
ΔfH°gas -231.42 kJ/mol Joback Calculated Property
ΔfusH° 22.07 kJ/mol Joback Calculated Property
ΔvapH° 66.64 kJ/mol Joback Calculated Property
log10WS -5.90 Crippen Calculated Property
logPoct/wat 5.465 Crippen Calculated Property
McVol 253.050 ml/mol McGowan Calculated Property
Pc 1683.79 kPa Joback Calculated Property
Inp 2321.00 NIST
Tboil 753.70 K Joback Calculated Property
Tc 990.82 K Joback Calculated Property
Tfus 446.62 K Joback Calculated Property
Vc 0.969 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [793.85; 936.89] J/mol×K [753.70; 990.82] Show Hide
Cp,gas 793.85 J/mol×K 753.70 Joback Calculated Property
Cp,gas 818.04 J/mol×K 793.22 Joback Calculated Property
Cp,gas 841.63 J/mol×K 832.74 Joback Calculated Property
Cp,gas 864.97 J/mol×K 872.26 Joback Calculated Property
Cp,gas 888.40 J/mol×K 911.78 Joback Calculated Property
Cp,gas 912.26 J/mol×K 951.30 Joback Calculated Property
Cp,gas 936.89 J/mol×K 990.82 Joback Calculated Property

Similar Compounds

Abietal. 4-epi-Abietal. (1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carbaldehyde. (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde. Abieta-8(14),13(15)-diene. (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Abieta-7,13-dien-3-one. 1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. Sandaracopimarinal. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),13(15)-Abietadien-18-oate. Isopimarinal. Abietadiene. neoabietinol.

Find more compounds similar to (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde.

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