Chemical Properties of Butanedioic acid, butyl phenylmethyl ester (CAS 1223-37-6)

InChI

InChI=1S/C15H20O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3

InChI Key

SISDVYCKRJTJHA-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CCCCOC(=O)CCC(=O)OCc1ccccc1

Molecular Weight¹

264.32

CAS

1223-37-6

Other Names

• Butyl benzyl succinate
• Succinic acid, benzyl butyl ester

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.11; 690.89]	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			6.16600e+00
Coefficient B			1.24032e+00
Coefficient C			-6.34200e-04
Coefficient D			7.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.11	J/mol×K	273.00	Calculated Property
Cp,gas	369.07	J/mol×K	353.78	Calculated Property
Cp,gas	431.84	J/mol×K	434.56	Calculated Property
Cp,gas	487.68	J/mol×K	515.33	Calculated Property
Cp,gas	536.82	J/mol×K	596.11	Calculated Property
Cp,gas	579.52	J/mol×K	676.89	Calculated Property
Cp,gas	616.03	J/mol×K	757.67	Calculated Property
Cp,gas	646.60	J/mol×K	838.44	Calculated Property
Cp,gas	671.47	J/mol×K	919.22	Calculated Property
Cp,gas	690.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020041; 0.0001268]	Pa×s	[369.89; 619.23]	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			-1.30678e+01
Coefficient B			2.53570e+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.			369.89
Temperature range, max.			619.23
η	0.0020041	Pa×s	369.89	Calculated Property
η	0.0012430	Pa×s	397.59	Calculated Property
η	0.0008204	Pa×s	425.30	Calculated Property
η	0.0005698	Pa×s	453.00	Calculated Property
η	0.0004127	Pa×s	480.71	Calculated Property
η	0.0003096	Pa×s	508.41	Calculated Property
η	0.0002392	Pa×s	536.11	Calculated Property
η	0.0001896	Pa×s	563.82	Calculated Property
η	0.0001536	Pa×s	591.52	Calculated Property
η	0.0001268	Pa×s	619.23	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, butyl phenylmethyl ester.

Sources

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

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