Chemical Properties of Cyclohexanone, 2-butyl- (CAS 1126-18-7)

InChI

InChI=1S/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h9H,2-8H2,1H3

InChI Key

POYYYXPQBFPUKS-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CCCCC1CCCCC1=O

Molecular Weight¹

154.25

CAS

1126-18-7

Other Names

• 2-butylcyclohexanone
• 2-n-Butylcyclohexanone

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.22; 438.17]	J/mol×K	[515.57; 729.05]
Cp,gas	338.22	J/mol×K	515.57	Joback Calculated Property
Cp,gas	357.09	J/mol×K	551.15	Joback Calculated Property
Cp,gas	375.07	J/mol×K	586.73	Joback Calculated Property
Cp,gas	392.17	J/mol×K	622.31	Joback Calculated Property
Cp,gas	408.39	J/mol×K	657.89	Joback Calculated Property
Cp,gas	423.72	J/mol×K	693.47	Joback Calculated Property
Cp,gas	438.17	J/mol×K	729.05	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[357.52; 524.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38017e+01
Coefficient B			-3.81923e+03
Coefficient C			-7.49100e+01
Temperature range, min.			357.52
Temperature range, max.			524.75
Pvap	1.33	kPa	357.52	Calculated Property
Pvap	3.07	kPa	376.10	Calculated Property
Pvap	6.41	kPa	394.68	Calculated Property
Pvap	12.35	kPa	413.26	Calculated Property
Pvap	22.23	kPa	431.84	Calculated Property
Pvap	37.75	kPa	450.43	Calculated Property
Pvap	60.98	kPa	469.01	Calculated Property
Pvap	94.35	kPa	487.59	Calculated Property
Pvap	140.57	kPa	506.17	Calculated Property
Pvap	202.66	kPa	524.75	Calculated Property

Similar Compounds

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

Sources

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

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