Chemical Properties of Bicyclo[3.1.0]hexan-2-one, 1-methyl-4-(1-methylethyl)

InChI

InChI=1S/C10H16O/c1-7(2)10-5-4-8(11)9(10,3)6-10/h7H,4-6H2,1-3H3

InChI Key

XTUMSZDBTLUZKV-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C12CCC(=O)C1(C)C2

Molecular Weight¹

152.23

• 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°	18.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.63	kJ/mol	Joback Calculated Property
ΔfusH°	1.32	kJ/mol	Joback Calculated Property
ΔvapH°	39.24	kJ/mol	Joback Calculated Property
log10WS	-2.35		Crippen Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1058.00; 1058.00]
Inp	1058.00		NIST
Inp	1058.00		NIST
Tboil	509.54	K	Joback Calculated Property
Tc	739.15	K	Joback Calculated Property
Tfus	339.36	K	Joback Calculated Property
Vc	0.506	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.53; 411.04]	J/mol×K	[509.54; 739.15]
Cp,gas	323.53	J/mol×K	509.54	Joback Calculated Property
Cp,gas	340.81	J/mol×K	547.81	Joback Calculated Property
Cp,gas	356.66	J/mol×K	586.08	Joback Calculated Property
Cp,gas	371.34	J/mol×K	624.35	Joback Calculated Property
Cp,gas	385.12	J/mol×K	662.61	Joback Calculated Property
Cp,gas	398.26	J/mol×K	700.88	Joback Calculated Property
Cp,gas	411.04	J/mol×K	739.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.0]hexan-2-one, 1-methyl-4-(1-methylethyl).

Sources

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

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