Chemical Properties of 3-Cyclohexen-1-one, 2-isopropyl-5-methyl-

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7-9H,6H2,1-3H3

InChI Key

GPUOMCZFJZZLJT-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1C=CC(C(C)C)C(=O)C1

Molecular Weight¹

152.23

Other Names

• 2-Isopropyl-5-methyl-3-cyclohexen-1-one
• 2-Isopropyl-5-methylcyclohex-3-en-1-one

• 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°	-45.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.95	kJ/mol	Joback Calculated Property
ΔfusH°	11.77	kJ/mol	Joback Calculated Property
ΔvapH°	42.12	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2693.00	kPa	Joback Calculated Property
Inp	[1251.00; 1275.00]
Inp	1251.00		NIST
Inp	1275.00		NIST
Inp	1274.00		NIST
Inp	1251.00		NIST
Tboil	509.62	K	Joback Calculated Property
Tc	730.05	K	Joback Calculated Property
Tfus	259.58	K	Joback Calculated Property
Vc	0.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.62; 419.78]	J/mol×K	[509.62; 730.05]
Cp,gas	321.62	J/mol×K	509.62	Joback Calculated Property
Cp,gas	340.19	J/mol×K	546.36	Joback Calculated Property
Cp,gas	357.89	J/mol×K	583.10	Joback Calculated Property
Cp,gas	374.70	J/mol×K	619.84	Joback Calculated Property
Cp,gas	390.63	J/mol×K	656.58	Joback Calculated Property
Cp,gas	405.65	J/mol×K	693.32	Joback Calculated Property
Cp,gas	419.78	J/mol×K	730.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexen-1-one, 2-isopropyl-5-methyl-.

Sources

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

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