Chemical Properties of 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)- (CAS 511-15-9)

InChI

InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3

InChI Key

ZRVDANDJSTYELM-UHFFFAOYSA-N

Formula

C20H30O

SMILES

CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C

Molecular Weight¹

286.45

CAS

511-15-9

Other Names

• Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-
• Totarol
• TOTAROL (B637832K176)
• (+)-Totarol
• trans-Totarol

• 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°	132.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.71	kJ/mol	Joback Calculated Property
ΔfusH°	23.62	kJ/mol	Joback Calculated Property
ΔvapH°	73.90	kJ/mol	Joback Calculated Property
log10WS	-5.72		Crippen Calculated Property
logPoct/wat	5.546		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[2253.00; 2334.00]
Inp	2314.00		NIST
Inp	2314.00		NIST
Inp	2302.00		NIST
Inp	2302.00		NIST
Inp	2302.00		NIST
Inp	2302.00		NIST
Inp	2302.00		NIST
Inp	2302.00		NIST
Inp	2268.00		NIST
Inp	2260.00		NIST
Inp	2303.00		NIST
Inp	2290.00		NIST
Inp	2302.00		NIST
Inp	2314.00		NIST
Inp	2299.00		NIST
Inp	2314.00		NIST
Inp	Outlier 2253.00		NIST
Inp	2334.00		NIST
Inp	2290.00		NIST
Inp	2302.00		NIST
Inp	2296.00		NIST
Inp	2259.00		NIST
Tboil	791.65	K	Joback Calculated Property
Tc	1034.71	K	Joback Calculated Property
Tfus	535.74	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.54; 957.98]	J/mol×K	[791.65; 1034.71]
Cp,gas	807.54	J/mol×K	791.65	Joback Calculated Property
Cp,gas	831.05	J/mol×K	832.16	Joback Calculated Property
Cp,gas	854.62	J/mol×K	872.67	Joback Calculated Property
Cp,gas	878.69	J/mol×K	913.18	Joback Calculated Property
Cp,gas	903.66	J/mol×K	953.69	Joback Calculated Property
Cp,gas	929.95	J/mol×K	994.20	Joback Calculated Property
Cp,gas	957.98	J/mol×K	1034.71	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)-, (4bS-trans)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.