Chemical Properties of thujopsenal

InChI

InChI=1S/C15H24O/c1-13(2)6-4-7-14(3)8-5-11(10-16)12-9-15(12,13)14/h10-12H,4-9H2,1-3H3/t11?,12-,14-,15-/m1/s1

InChI Key

KTAIRICWMMIGKL-ZJPTYJIISA-N

Formula

C15H24O

SMILES

CC1(C)CCCC2(C)CCC(C=O)C3CC312

Molecular Weight¹

220.35

• 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°	102.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.39	kJ/mol	Joback Calculated Property
ΔfusH°	10.35	kJ/mol	Joback Calculated Property
ΔvapH°	51.72	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.818		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2322.54	kPa	Joback Calculated Property
I	[2332.00; 2332.00]
I	2332.00		NIST
I	2332.00		NIST
Tboil	611.40	K	Joback Calculated Property
Tc	844.94	K	Joback Calculated Property
Tfus	410.81	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.63; 669.76]	J/mol×K	[611.40; 844.94]
Cp,gas	549.63	J/mol×K	611.40	Joback Calculated Property
Cp,gas	571.36	J/mol×K	650.32	Joback Calculated Property
Cp,gas	591.82	J/mol×K	689.25	Joback Calculated Property
Cp,gas	611.46	J/mol×K	728.17	Joback Calculated Property
Cp,gas	630.70	J/mol×K	767.10	Joback Calculated Property
Cp,gas	649.98	J/mol×K	806.02	Joback Calculated Property
Cp,gas	669.76	J/mol×K	844.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to thujopsenal.

Sources

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

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