Chemical Properties of trans-neoabienol

InChI

InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+

InChI Key

ZAZVCYBIABTSJR-OQLLNIDSSA-N

Formula

C20H34O

SMILES

C=CC(C)=CCC1C(C)(O)CCC2C(C)(C)CCCC21C

Molecular Weight¹

290.48

• 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_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
ΔfG°	173.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.84	kJ/mol	Joback Calculated Property
ΔfusH°	21.45	kJ/mol	Joback Calculated Property
ΔvapH°	72.30	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.502		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1536.66	kPa	Joback Calculated Property
Inp	[2107.00; 2144.00]
Inp	2107.00		NIST
Inp	2122.00		NIST
Inp	2144.00		NIST
Inp	2144.00		NIST
Tboil	767.17	K	Joback Calculated Property
Tc	979.48	K	Joback Calculated Property
Tfus	435.96	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.65; 1003.03]	J/mol×K	[767.17; 979.48]
Cp,gas	856.65	J/mol×K	767.17	Joback Calculated Property
Cp,gas	880.12	J/mol×K	802.55	Joback Calculated Property
Cp,gas	903.54	J/mol×K	837.94	Joback Calculated Property
Cp,gas	927.22	J/mol×K	873.32	Joback Calculated Property
Cp,gas	951.49	J/mol×K	908.71	Joback Calculated Property
Cp,gas	976.65	J/mol×K	944.09	Joback Calculated Property
Cp,gas	1003.03	J/mol×K	979.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-neoabienol.

Sources

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

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