Chemical Properties of Epidehydroabietol

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-/m0/s1

InChI Key

WSKGRAGZAQRSED-YPJRHXLCSA-N

Formula

C20H30O

SMILES

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

Molecular Weight¹

286.45

Other Names

• 4-epi-Dehydroabietol

• 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.
• 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 (1.0) Calculated Property
ΔfG°	150.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
ΔvapH°	119.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) 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	[2326.00; 2332.00]
Inp	2332.00		NIST
Inp	2326.00		NIST
Tboil	639.44	K	Relay (1.0) Calculated Property
Tc	897.76	K	Relay (1.0) Calculated Property
Tfus	377.95	K	Relay (1.0) Calculated Property
Vc	0.897	m3/kmol	Relay (1.0) 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 Epidehydroabietol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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