Chemical Properties of Cyclohexanone, 5-methyl-2-(1-methylethyl)- (CAS 10458-14-7)

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8?,9-/m1/s1

InChI Key

NFLGAXVYCFJBMK-YGPZHTELSA-N

Formula

C10H18O

SMILES

CC1CCC(C(C)C)C(=O)C1

Molecular Weight¹

154.25

CAS

10458-14-7

Other Names

• 2-Isopropyl-5-methylcyclohexanone
• 5-Methyl-2-(1-methylethyl)cyclohexanone
• 5-Methyl-2-(isopropyl)cyclohexanone
• NSC 113134
• l-Menthone
• p-Menthan-3-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	-74.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.73	kJ/mol	Joback Calculated Property
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
ΔvapH°	41.83	kJ/mol	Joback Calculated Property
log10WS	-2.49		Aq. Sol...
logPoct/wat	2.648		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Pc	2595.13	kPa	Joback Calculated Property
Inp	[1123.00; 1172.00]
Inp	1166.00		NIST
Inp	1130.00		NIST
Inp	1158.00		NIST
Inp	1128.00		NIST
Inp	1172.00		NIST
Inp	1123.00		NIST
Inp	1166.00		NIST
Inp	1158.00		NIST
Tboil	481.70	K	NIST
Tc	728.68	K	Joback Calculated Property
Tfus	258.82	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.98; 443.91]	J/mol×K	[510.46; 728.68]
Cp,gas	338.98	J/mol×K	510.46	Joback Calculated Property
Cp,gas	358.78	J/mol×K	546.83	Joback Calculated Property
Cp,gas	377.66	J/mol×K	583.20	Joback Calculated Property
Cp,gas	395.62	J/mol×K	619.57	Joback Calculated Property
Cp,gas	412.65	J/mol×K	655.94	Joback Calculated Property
Cp,gas	428.75	J/mol×K	692.31	Joback Calculated Property
Cp,gas	443.91	J/mol×K	728.68	Joback Calculated Property
ΔvapH	[50.10; 51.20]	kJ/mol	[384.50; 416.50]
ΔvapH	50.10	kJ/mol	384.50	NIST
ΔvapH	51.20	kJ/mol	416.50	NIST

Similar Compounds

Find more compounds similar to Cyclohexanone, 5-methyl-2-(1-methylethyl)-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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