Chemical Properties of neoabietinol (CAS 640-42-6)

neoabietinol

InChI
InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,17-18,21H,5-11,13H2,1-4H3
InChI Key
MUBMRBNHMHINMF-UHFFFAOYSA-N
Formula
C20H32O
SMILES
CC(C)=C1C=C2CCC3C(C)(CO)CCCC3(C)C2CC1
Molecular Weight1
288.47
CAS
640-42-6
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
ω 0.5897 Relay (1.0) Calculated Property
ΔfG° 141.00 kJ/mol Joback Calculated Property
ΔfH°gas -282.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.87 kJ/mol Joback Calculated Property
ΔvapH° 112.32 kJ/mol Relay (1.0) Calculated Property
IE 7.81 eV Relay (1.0) Calculated Property
log10WS -5.01 Relay (1.0) Calculated Property
logPoct/wat 5.258 Crippen Calculated Property
McVol 257.350 ml/mol McGowan Calculated Property
Pc 1708.95 kPa Joback Calculated Property
Inp [2400.00; 2504.90]   Show Hide
Inp 2504.90 NIST
Inp 2400.00 NIST
Inp 2406.00 NIST
Inp 2504.90 NIST
Inp 2455.00 NIST
Tboil 629.59 K Relay (1.0) Calculated Property
Tc 891.42 K Relay (1.0) Calculated Property
Tfus 400.88 K Relay (1.0) Calculated Property
Vc 0.882 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [844.03; 982.16] J/mol×K [797.22; 1017.18] Show Hide
Cp,gas 844.03 J/mol×K 797.22 Joback Calculated Property
Cp,gas 866.71 J/mol×K 833.88 Joback Calculated Property
Cp,gas 889.15 J/mol×K 870.54 Joback Calculated Property
Cp,gas 911.64 J/mol×K 907.20 Joback Calculated Property
Cp,gas 934.46 J/mol×K 943.86 Joback Calculated Property
Cp,gas 957.87 J/mol×K 980.52 Joback Calculated Property
Cp,gas 982.16 J/mol×K 1017.18 Joback Calculated Property

Similar Compounds

((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. 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»)]-. ((1S,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methyl acetate. pimarinol. ((1R,4aR,4bS,7R,10aR)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methanol. sandaracopimarinol. isopimarinol. Isopimarol. Himachalenol. Methyl 8(14),13(15)-Abietadien-18-oate. 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»)]-. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate. Abietic acid. Abieta-8(14),13(15)-diene.

Find more compounds similar to neoabietinol.

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.