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

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

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.62	kJ/mol	Joback Calculated Property
logPoct/wat	5.546		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan 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
Inp	2302.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.92; 933.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.35970e+02
Coefficient B			2.70640e+00
Coefficient C			-2.57828e-03
Coefficient D			1.04170e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.92	J/mol×K	273.00	Calculated Property
Cp,gas	444.92	J/mol×K	353.78	Calculated Property
Cp,gas	538.72	J/mol×K	434.56	Calculated Property
Cp,gas	616.58	J/mol×K	515.33	Calculated Property
Cp,gas	681.82	J/mol×K	596.11	Calculated Property
Cp,gas	737.72	J/mol×K	676.89	Calculated Property
Cp,gas	787.58	J/mol×K	757.67	Calculated Property
Cp,gas	834.69	J/mol×K	838.44	Calculated Property
Cp,gas	882.35	J/mol×K	919.22	Calculated Property
Cp,gas	933.85	J/mol×K	1000.00	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

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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