Chemical Properties of 4-Isopropylcyclohexanone (CAS 5432-85-9)

InChI

InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3

InChI Key

FPKISACHVIIMRA-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC(C)C1CCC(=O)CC1

Molecular Weight¹

140.22

CAS

5432-85-9

Other Names

• 4-isopropylcyclohexan-1-one
• Cyclohexanone, 4-(1-methylethyl)-
• Cyclohexanone, 4-isopropyl-

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-75.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.75	kJ/mol	Joback Calculated Property
ΔfusH°	6.89	kJ/mol	Joback Calculated Property
ΔvapH°	39.92	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	2973.04	kPa	Joback Calculated Property
Inp	1182.00		NIST
I	[1571.00; 1571.00]
I	1571.00		NIST
I	1571.00		NIST
Tboil	492.25	K	Joback Calculated Property
Tc	714.29	K	Joback Calculated Property
Tfus	251.79	K	Joback Calculated Property
Vc	0.473	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.68; 389.49]	J/mol×K	[492.25; 714.29]
Cp,gas	291.68	J/mol×K	492.25	Joback Calculated Property
Cp,gas	310.17	J/mol×K	529.26	Joback Calculated Property
Cp,gas	327.79	J/mol×K	566.26	Joback Calculated Property
Cp,gas	344.53	J/mol×K	603.27	Joback Calculated Property
Cp,gas	360.40	J/mol×K	640.28	Joback Calculated Property
Cp,gas	375.38	J/mol×K	677.29	Joback Calculated Property
Cp,gas	389.49	J/mol×K	714.29	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[368.00; 412.70]	K	[2.30; 13.30]
Tboilr	368.00 ± 1.00	K	2.30	NIST
Tboilr	412.70	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[362.32; 495.13]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61205e+01
Coefficient B			-4.52411e+03
Coefficient C			-7.65780e+01
Temperature range, min.			362.32
Temperature range, max.			495.13
Pvap	1.33	kPa	362.32	Calculated Property
Pvap	2.90	kPa	377.08	Calculated Property
Pvap	5.87	kPa	391.83	Calculated Property
Pvap	11.15	kPa	406.59	Calculated Property
Pvap	20.05	kPa	421.35	Calculated Property
Pvap	34.36	kPa	436.10	Calculated Property
Pvap	56.43	kPa	450.86	Calculated Property
Pvap	89.25	kPa	465.62	Calculated Property
Pvap	136.52	kPa	480.37	Calculated Property
Pvap	202.65	kPa	495.13	Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropylcyclohexanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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