Chemical Properties of Bicyclo[3.1.0]hex-3-en-2-one, 5-(1-methylethyl)- (CAS 36262-12-1)

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

CAS

36262-12-1

Other Names

• Dehydrosabinaketone
• Dehydro sabinene ketone
• Sabina ketone dehydro

• 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.
• 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°	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	[1079.00; 1128.60]
Inp	1119.00		NIST
Inp	1079.00		NIST
Inp	1117.00		NIST
Inp	1086.00		NIST
Inp	1128.60		NIST
Inp	1116.00		NIST
Inp	1127.00		NIST
Inp	1113.00		NIST
Inp	1121.00		NIST
Inp	1116.00		NIST
Inp	1117.00		NIST
Inp	1115.00		NIST
Inp	1117.00		NIST
Inp	1097.00		NIST
Inp	1079.00		NIST
I	[1643.00; 1643.00]
I	1643.00		NIST
I	1643.00		NIST
I	1643.00		NIST
I	1643.00		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 Bicyclo[3.1.0]hex-3-en-2-one, 5-(1-methylethyl)-.

Sources

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

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