Chemical Properties of Cyclohexanone, 2-isopropyl-2,5-dimethyl- (CAS 20144-44-9)

InChI

InChI=1S/C11H20O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h8-9H,5-7H2,1-4H3

InChI Key

PFXHRFGMSHIJQV-UHFFFAOYSA-N

Formula

C11H20O

SMILES

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

Molecular Weight¹

168.28

CAS

20144-44-9

Other Names

• 2-Isopropyl-2,5-dimethyl-cyclohexanone

• 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°	-72.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.13	kJ/mol	Joback Calculated Property
ΔfusH°	6.84	kJ/mol	Joback Calculated Property
ΔvapH°	42.91	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	3.038		Crippen Calculated Property
McVol	156.560	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[1306.00; 1306.00]
Inp	1306.00		NIST
Inp	1306.00		NIST
Tboil	533.58	K	Joback Calculated Property
Tc	757.23	K	Joback Calculated Property
Tfus	293.99	K	Joback Calculated Property
Vc	0.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.18; 495.21]	J/mol×K	[533.58; 757.23]
Cp,gas	387.18	J/mol×K	533.58	Joback Calculated Property
Cp,gas	407.69	J/mol×K	570.85	Joback Calculated Property
Cp,gas	427.08	J/mol×K	608.13	Joback Calculated Property
Cp,gas	445.43	J/mol×K	645.40	Joback Calculated Property
Cp,gas	462.85	J/mol×K	682.68	Joback Calculated Property
Cp,gas	479.41	J/mol×K	719.95	Joback Calculated Property
Cp,gas	495.21	J/mol×K	757.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2-isopropyl-2,5-dimethyl-.

Sources

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

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