Chemical Properties of 8 «alpha»-13-Oxy-14-en-epilabdane

InChI

InChI=1S/C20H36O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,15-17,21H,1,8-14H2,2-6H3/t15-,16?,17?,19+,20-/m0/s1

InChI Key

FLVAXXPTIPADIG-AAKURSQFSA-N

Formula

C20H36O

SMILES

C=CC(C)(O)CCC1C(C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

292.50

• 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 : 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°	110.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.26	kJ/mol	Joback Calculated Property
ΔfusH°	21.44	kJ/mol	Joback Calculated Property
ΔvapH°	72.11	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	5.582		Crippen Calculated Property
McVol	272.510	ml/mol	McGowan Calculated Property
Pc	1441.35	kPa	Joback Calculated Property
I	[2391.00; 2396.00]
I	2396.00		NIST
I	2391.00		NIST
I	2396.00		NIST
Tboil	759.66	K	Joback Calculated Property
Tc	965.92	K	Joback Calculated Property
Tfus	433.52	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[886.93; 1021.35]	J/mol×K	[759.66; 965.92]
Cp,gas	886.93	J/mol×K	759.66	Joback Calculated Property
Cp,gas	910.13	J/mol×K	794.04	Joback Calculated Property
Cp,gas	932.71	J/mol×K	828.41	Joback Calculated Property
Cp,gas	954.90	J/mol×K	862.79	Joback Calculated Property
Cp,gas	976.92	J/mol×K	897.17	Joback Calculated Property
Cp,gas	999.00	J/mol×K	931.55	Joback Calculated Property
Cp,gas	1021.35	J/mol×K	965.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8 «alpha»-13-Oxy-14-en-epilabdane.

Sources

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

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