Chemical Properties of 1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]- (CAS 3772-55-2)

InChI

InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18?,19-,20?/m1/s1

InChI Key

WSKGRAGZAQRSED-IOJLRTSASA-N

Formula

C20H30O

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(CO)CCCC21C

Molecular Weight¹

286.45

CAS

3772-55-2

Other Names

• Podocarpa-8,11,13-trien-15-ol, 13-isopropyl-
• Abietyl alcohol, dehydro-
• Dehydroabeityl alcohol
• Dehydroabietinol
• Dehydroabietol
• [1R-(1«alpha»,4a«beta»,10a«alpha»)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol

• 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.
• I_p : 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°	21.93	kJ/mol	Joback Calculated Property
logPoct/wat	4.813		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan Calculated Property
Inp	[2318.00; 2386.60]
Inp	Outlier 2318.00		NIST
Inp	2354.00		NIST
Inp	2359.00		NIST
Inp	2386.60		NIST
Inp	2360.00		NIST
Inp	2378.00		NIST
Inp	2359.00		NIST
Inp	2386.60		NIST
Inp	2360.00		NIST
Ip	[3100.00; 3100.00]
Ip	3100.00		NIST
Ip	3100.00		NIST
Tfus	369.29	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.53; 930.10]	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			-2.21759e+02
Coefficient B			2.58578e+00
Coefficient C			-2.35232e-03
Coefficient D			9.18400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.53	J/mol×K	273.00	Calculated Property
Cp,gas	439.28	J/mol×K	353.78	Calculated Property
Cp,gas	533.06	J/mol×K	434.56	Calculated Property
Cp,gas	611.77	J/mol×K	515.33	Calculated Property
Cp,gas	678.30	J/mol×K	596.11	Calculated Property
Cp,gas	735.57	J/mol×K	676.89	Calculated Property
Cp,gas	786.48	J/mol×K	757.67	Calculated Property
Cp,gas	833.94	J/mol×K	838.44	Calculated Property
Cp,gas	880.84	J/mol×K	919.22	Calculated Property
Cp,gas	930.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-.

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.
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