Chemical Properties of Benzenebutanal

InChI

InChI=1S/C10H12O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2

InChI Key

NHFRGTVSKOPUBK-UHFFFAOYSA-N

Formula

C10H12O

SMILES

O=CCCCc1ccccc1

Molecular Weight¹

148.21

Other Names

• 4-Phenylbutanal
• 4-Phenylbutyraldehyde
• Butyraldehyde, 4-phenyl-
• «gamma»-Phenylbutyraldehyde

• 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	[165.28; 407.49]	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			-2.87070e+01
Coefficient B			8.49400e-01
Coefficient C			-5.44400e-04
Coefficient D			1.31200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.28	J/mol×K	273.00	Calculated Property
Cp,gas	209.46	J/mol×K	353.78	Calculated Property
Cp,gas	248.37	J/mol×K	434.56	Calculated Property
Cp,gas	282.40	J/mol×K	515.33	Calculated Property
Cp,gas	311.97	J/mol×K	596.11	Calculated Property
Cp,gas	337.50	J/mol×K	676.89	Calculated Property
Cp,gas	359.40	J/mol×K	757.67	Calculated Property
Cp,gas	378.09	J/mol×K	838.44	Calculated Property
Cp,gas	393.98	J/mol×K	919.22	Calculated Property
Cp,gas	407.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035007; 0.0002884]	Pa×s	[270.88; 499.33]	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			-1.11114e+01
Coefficient B			1.47809e+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.			270.88
Temperature range, max.			499.33
η	0.0035007	Pa×s	270.88	Calculated Property
η	0.0021934	Pa×s	296.26	Calculated Property
η	0.0014796	Pa×s	321.65	Calculated Property
η	0.0010572	Pa×s	347.03	Calculated Property
η	0.0007908	Pa×s	372.41	Calculated Property
η	0.0006139	Pa×s	397.80	Calculated Property
η	0.0004912	Pa×s	423.18	Calculated Property
η	0.0004031	Pa×s	448.56	Calculated Property
η	0.0003379	Pa×s	473.95	Calculated Property
η	0.0002884	Pa×s	499.33	Calculated Property

Similar Compounds

Find more compounds similar to Benzenebutanal.

Sources

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

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