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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• I : 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
ω	0.6866		Relay (... Calculated Property
ΔfG°	150.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
ΔvapH°	119.00	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-5.46		Relay (... Calculated Property
logPoct/wat	4.813		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan Calculated Property
Pc	1780.34	kPa	Joback 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
I	[3100.00; 3100.00]
I	3100.00		NIST
I	3100.00		NIST
Tboil	639.44	K	Relay (... Calculated Property
Tc	897.76	K	Relay (... Calculated Property
Tfus	377.95	K	Relay (... Calculated Property
Vc	0.897	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.48; 945.17]	J/mol×K	[803.21; 1023.32]
Cp,gas	813.48	J/mol×K	803.21	Joback Calculated Property
Cp,gas	834.78	J/mol×K	839.89	Joback Calculated Property
Cp,gas	855.97	J/mol×K	876.58	Joback Calculated Property
Cp,gas	877.34	J/mol×K	913.26	Joback Calculated Property
Cp,gas	899.15	J/mol×K	949.95	Joback Calculated Property
Cp,gas	921.66	J/mol×K	986.63	Joback Calculated Property
Cp,gas	945.17	J/mol×K	1023.32	Joback 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)
• 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.