Chemical Properties of 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)-

InChI

InChI=1S/C22H32O2/c1-14(2)17-12-16-8-9-20-21(4,5)10-7-11-22(20,6)18(16)13-19(17)24-15(3)23/h12-14,20H,7-11H2,1-6H3

InChI Key

AZEPENWNEVUZPW-UHFFFAOYSA-N

Formula

C22H32O2

SMILES

CC(=O)Oc1cc2c(cc1C(C)C)CCC1C(C)(C)CCCC21C

Molecular Weight¹

328.50

Other Names

• Podocarpa-8,11,13-trien-12-ol, 13-isopropyl-, acetate
• Acetyl ferruginol
• trans-ferruginyl acetate
• 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, 3-acetate, (4bS,8aS)-
• Ferruginol acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.42	kJ/mol	Joback Calculated Property
logPoct/wat	5.766		Crippen Calculated Property
McVol	282.800	ml/mol	McGowan Calculated Property
Inp	[2357.00; 2357.00]
Inp	2357.00		NIST
Inp	2357.00		NIST
Tfus	378.64	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	[917.36; 1066.37]	J/mol×K	[838.06; 1069.64]
Cp,gas	917.36	J/mol×K	838.06	Joback Calculated Property
Cp,gas	941.34	J/mol×K	876.66	Joback Calculated Property
Cp,gas	965.27	J/mol×K	915.25	Joback Calculated Property
Cp,gas	989.45	J/mol×K	953.85	Joback Calculated Property
Cp,gas	1014.16	J/mol×K	992.44	Joback Calculated Property
Cp,gas	1039.71	J/mol×K	1031.04	Joback Calculated Property
Cp,gas	1066.37	J/mol×K	1069.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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