Chemical Properties of 1-Phenyl-2-hexanone

InChI

InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

InChI Key

DYQAZJQDLPPHNB-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CCCCC(=O)Cc1ccccc1

Molecular Weight¹

176.26

Other Names

• 1-phenylhexan-2-one
• 2-Hexanone, 1-phenyl-
• Benzyl n-butyl ketone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.72; 508.91]	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			-3.45660e+01
Coefficient B			1.03692e+00
Coefficient C			-6.41500e-04
Coefficient D			1.48060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.72	J/mol×K	273.00	Calculated Property
Cp,gas	258.54	J/mol×K	353.78	Calculated Property
Cp,gas	307.04	J/mol×K	434.56	Calculated Property
Cp,gas	349.69	J/mol×K	515.33	Calculated Property
Cp,gas	386.96	J/mol×K	596.11	Calculated Property
Cp,gas	419.31	J/mol×K	676.89	Calculated Property
Cp,gas	447.21	J/mol×K	757.67	Calculated Property
Cp,gas	471.14	J/mol×K	838.44	Calculated Property
Cp,gas	491.55	J/mol×K	919.22	Calculated Property
Cp,gas	508.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030718; 0.0002555]	Pa×s	[301.35; 534.03]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14930e+01
Coefficient B			1.71997e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			301.35
Temperature range, max.			534.03
η	0.0030718	Pa×s	301.35	Calculated Property
η	0.0019568	Pa×s	327.20	Calculated Property
η	0.0013316	Pa×s	353.06	Calculated Property
η	0.0009550	Pa×s	378.91	Calculated Property
η	0.0007146	Pa×s	404.76	Calculated Property
η	0.0005537	Pa×s	430.62	Calculated Property
η	0.0004416	Pa×s	456.47	Calculated Property
η	0.0003609	Pa×s	482.32	Calculated Property
η	0.0003010	Pa×s	508.18	Calculated Property
η	0.0002555	Pa×s	534.03	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-2-hexanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.