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)

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

• Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-, acetate
• Totaryl acetate
• Totarol acetate
• 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)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	60.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.95	kJ/mol	Joback Calculated Property
ΔfusH°	25.42	kJ/mol	Joback Calculated Property
ΔvapH°	75.16	kJ/mol	Joback Calculated Property
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	5.766		Crippen Calculated Property
McVol	282.800	ml/mol	McGowan Calculated Property
Pc	1453.46	kPa	Joback Calculated Property
Inp	[2417.00; 2437.00]
Inp	2417.00		NIST
Inp	2437.00		NIST
Inp	2417.00		NIST
Inp	2437.00		NIST
Inp	2417.00		NIST
Inp	2437.00		NIST
Tboil	838.06	K	Joback Calculated Property
Tc	1069.64	K	Joback Calculated Property
Tfus	531.24	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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