Chemical Properties of Tau-Cadinol acetate (CAS 149197-48-8)

InChI

InChI=1S/C17H28O2/c1-11(2)14-8-9-17(5,19-13(4)18)16-7-6-12(3)10-15(14)16/h10-11,14-16H,6-9H2,1-5H3

InChI Key

TUKAHRUSXDHODN-UHFFFAOYSA-N

Formula

C17H28O2

SMILES

CC(=O)OC1(C)CCC(C(C)C)C2C=C(C)CCC21

Molecular Weight¹

264.40

CAS

149197-48-8

• 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°	-71.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-502.46	kJ/mol	Joback Calculated Property
ΔfusH°	23.60	kJ/mol	Joback Calculated Property
ΔvapH°	61.90	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.347		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan Calculated Property
Pc	1685.18	kPa	Joback Calculated Property
Inp	[1804.50; 1804.50]
Inp	1804.50		NIST
Inp	1804.50		NIST
Tboil	689.81	K	Joback Calculated Property
Tc	907.17	K	Joback Calculated Property
Tfus	389.01	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.83; 813.71]	J/mol×K	[689.81; 907.17]
Cp,gas	693.83	J/mol×K	689.81	Joback Calculated Property
Cp,gas	716.31	J/mol×K	726.04	Joback Calculated Property
Cp,gas	737.62	J/mol×K	762.26	Joback Calculated Property
Cp,gas	757.90	J/mol×K	798.49	Joback Calculated Property
Cp,gas	777.26	J/mol×K	834.71	Joback Calculated Property
Cp,gas	795.82	J/mol×K	870.94	Joback Calculated Property
Cp,gas	813.71	J/mol×K	907.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tau-Cadinol acetate.

Sources

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

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