Chemical Properties of Cyclohexanone, 2-propyl- (CAS 94-65-5)

InChI

InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3

InChI Key

OCJLPZCBZSCVCO-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CCCC1CCCCC1=O

Molecular Weight¹

140.23

CAS

94-65-5

Other Names

• 2-Propylcyclohexanone

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.3904		Relay (1.0) Calculated Property
ΔfG°	-73.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-283.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.41	kJ/mol	Joback Calculated Property
ΔvapH°	55.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	2.546		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	2947.28	kPa	Joback Calculated Property
Inp	[1134.00; 1136.00]
Inp	1136.00		NIST
Inp	1134.00		NIST
Tboil	475.14	K	Relay (1.0) Calculated Property
Tc	696.00	K	Relay (1.0) Calculated Property
Tfus	237.65	K	Relay (1.0) Calculated Property
Vc	0.445	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.66; 467.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.44680e+01
Coefficient B			8.12620e-01
Coefficient C			-3.02800e-04
Coefficient D			-7.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.66	J/mol×K	273.00	Calculated Property
Cp,gas	214.79	J/mol×K	353.78	Calculated Property
Cp,gas	260.86	J/mol×K	434.56	Calculated Property
Cp,gas	302.86	J/mol×K	515.33	Calculated Property
Cp,gas	340.76	J/mol×K	596.11	Calculated Property
Cp,gas	374.52	J/mol×K	676.89	Calculated Property
Cp,gas	404.14	J/mol×K	757.67	Calculated Property
Cp,gas	429.58	J/mol×K	838.44	Calculated Property
Cp,gas	450.83	J/mol×K	919.22	Calculated Property
Cp,gas	467.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[348.72; 501.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44120e+01
Coefficient B			-3.91061e+03
Coefficient C			-7.18520e+01
Temperature range, min.			348.72
Temperature range, max.			501.56
Pvap	1.33	kPa	348.72	Calculated Property
Pvap	3.02	kPa	365.70	Calculated Property
Pvap	6.24	kPa	382.68	Calculated Property
Pvap	11.97	kPa	399.67	Calculated Property
Pvap	21.55	kPa	416.65	Calculated Property
Pvap	36.70	kPa	433.63	Calculated Property
Pvap	59.58	kPa	450.61	Calculated Property
Pvap	92.79	kPa	467.60	Calculated Property
Pvap	139.34	kPa	484.58	Calculated Property
Pvap	202.64	kPa	501.56	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2-propyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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