Chemical Properties of Dehydrosabinaketone

InChI

InChI=1S/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3

InChI Key

IBMZINAPWMATGM-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CC(C)C12C=CC(=O)C1C2

Molecular Weight¹

136.19

• 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°	45.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.45	kJ/mol	Joback Calculated Property
ΔfusH°	6.25	kJ/mol	Joback Calculated Property
ΔvapH°	38.45	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.788		Crippen Calculated Property
McVol	113.220	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[1117.00; 1125.00]
Inp	1120.00		NIST
Inp	1125.00		NIST
Inp	1117.00		NIST
Inp	1120.00		NIST
Inp	1117.00		NIST
Tboil	485.58	K	Joback Calculated Property
Tc	711.64	K	Joback Calculated Property
Tfus	304.95	K	Joback Calculated Property
Vc	0.439	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.88; 338.90]	J/mol×K	[485.58; 711.64]
Cp,gas	261.88	J/mol×K	485.58	Joback Calculated Property
Cp,gas	277.23	J/mol×K	523.26	Joback Calculated Property
Cp,gas	291.37	J/mol×K	560.93	Joback Calculated Property
Cp,gas	304.45	J/mol×K	598.61	Joback Calculated Property
Cp,gas	316.63	J/mol×K	636.29	Joback Calculated Property
Cp,gas	328.06	J/mol×K	673.97	Joback Calculated Property
Cp,gas	338.90	J/mol×K	711.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydrosabinaketone.

Sources

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

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