Chemical Properties of 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bS-trans)- (CAS 15340-82-6)

2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bS-trans)-

InChI
InChI=1S/C22H32O2/c1-14(2)20-16-8-11-19-21(4,5)12-7-13-22(19,6)17(16)9-10-18(20)24-15(3)23/h9-10,14,19H,7-8,11-13H2,1-6H3
InChI Key
ORVBSFQTFRBNRP-UHFFFAOYSA-N
Formula
C22H32O2
SMILES
CC(=O)Oc1ccc2c(c1C(C)C)CCC1C(C)(C)CCCC21C
Molecular Weight1
328.49
CAS
15340-82-6
Other Names
  • 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, 2-acetate, (4bS,8aS)-
  • 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bS,8aS)-
  • Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-, acetate
  • Totarol acetate
  • Totaryl acetate
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Physical Properties

Property Value Unit Source
ΔfusH° 27.00 kJ/mol Joback Calculated Property
logPoct/wat 5.766 Crippen Calculated Property
McVol 282.800 ml/mol McGowan Calculated Property
Inp [2417.00; 2437.00]   Show Hide
Inp 2437.00 NIST
Inp 2417.00 NIST
Inp 2437.00 NIST
Inp 2417.00 NIST
Inp 2437.00 NIST
Tfus 375.55 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [908.68; 1052.63] J/mol×K [820.19; 1050.17] Show Hide
Cp,gas 908.68 J/mol×K 820.19 Joback Calculated Property
Cp,gas 932.29 J/mol×K 858.52 Joback Calculated Property
Cp,gas 955.67 J/mol×K 896.85 Joback Calculated Property
Cp,gas 979.11 J/mol×K 935.18 Joback Calculated Property
Cp,gas 1002.89 J/mol×K 973.51 Joback Calculated Property
Cp,gas 1027.30 J/mol×K 1011.84 Joback Calculated Property
Cp,gas 1052.63 J/mol×K 1050.17 Joback Calculated Property

Similar Compounds

cis-Totarol, methyl ether. trans-Totarol, methyl ether. 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-. cis-Totarol. 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)-. Estradiol, HFB. 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone. Estradiol Valerate. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 3'-(3-Methoxy-1,3,5(10)-estratrien-16beta-yl)propiono-1',17beta-lactone. Estradiol Cypionate. «alpha»-Estradiol, bis(trifluoroacetate). Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). Estradiol, TFA.

Find more compounds similar to 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, acetate, (4bS-trans)-.

Sources

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