Chemical Properties of Butanoic acid, phenyl ester (CAS 4346-18-3)

InChI

InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChI Key

IGVPBCZDHMIOJH-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCCC(=O)Oc1ccccc1

Molecular Weight¹

164.20

CAS

4346-18-3

Other Names

• Butyric acid, phenyl ester
• Phenyl butyrate

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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.70; 424.82]	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			-1.46980e+01
Coefficient B			8.20120e-01
Coefficient C			-4.56800e-04
Coefficient D			7.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.70	J/mol×K	273.00	Calculated Property
Cp,gas	221.64	J/mol×K	353.78	Calculated Property
Cp,gas	261.68	J/mol×K	434.56	Calculated Property
Cp,gas	297.05	J/mol×K	515.33	Calculated Property
Cp,gas	328.00	J/mol×K	596.11	Calculated Property
Cp,gas	354.77	J/mol×K	676.89	Calculated Property
Cp,gas	377.59	J/mol×K	757.67	Calculated Property
Cp,gas	396.72	J/mol×K	838.44	Calculated Property
Cp,gas	412.38	J/mol×K	919.22	Calculated Property
Cp,gas	424.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036787; 0.0002091]	Pa×s	[271.21; 506.25]	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			-1.17819e+01
Coefficient B			1.67518e+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.			271.21
Temperature range, max.			506.25
η	0.0036787	Pa×s	271.21	Calculated Property
η	0.0021383	Pa×s	297.33	Calculated Property
η	0.0013568	Pa×s	323.44	Calculated Property
η	0.0009214	Pa×s	349.56	Calculated Property
η	0.0006603	Pa×s	375.67	Calculated Property
η	0.0004942	Pa×s	401.79	Calculated Property
η	0.0003832	Pa×s	427.90	Calculated Property
η	0.0003059	Pa×s	454.02	Calculated Property
η	0.0002503	Pa×s	480.14	Calculated Property
η	0.0002091	Pa×s	506.25	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, phenyl ester.

Sources

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

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