Chemical Properties of Butanedioic acid, octyl phenylmethyl ester (CAS 119450-16-7)

InChI

InChI=1S/C19H28O4/c1-2-3-4-5-6-10-15-22-18(20)13-14-19(21)23-16-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3

InChI Key

JKDPVSKXVPWGCQ-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCCCCOC(=O)CCC(=O)OCc1ccccc1

Molecular Weight¹

320.42

CAS

119450-16-7

Other Names

• Octyl benzyl succinate

• 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	[383.96; 897.25]	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			2.53000e+00
Coefficient B			1.62032e+00
Coefficient C			-8.51800e-04
Coefficient D			1.26200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.96	J/mol×K	273.00	Calculated Property
Cp,gas	474.74	J/mol×K	353.78	Calculated Property
Cp,gas	556.15	J/mol×K	434.56	Calculated Property
Cp,gas	628.59	J/mol×K	515.33	Calculated Property
Cp,gas	692.47	J/mol×K	596.11	Calculated Property
Cp,gas	748.17	J/mol×K	676.89	Calculated Property
Cp,gas	796.10	J/mol×K	757.67	Calculated Property
Cp,gas	836.66	J/mol×K	838.44	Calculated Property
Cp,gas	870.24	J/mol×K	919.22	Calculated Property
Cp,gas	897.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012900; 0.0000837]	Pa×s	[414.97; 679.88]	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			-1.36713e+01
Coefficient B			2.91234e+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.			414.97
Temperature range, max.			679.88
η	0.0012900	Pa×s	414.97	Calculated Property
η	0.0008104	Pa×s	444.40	Calculated Property
η	0.0005394	Pa×s	473.84	Calculated Property
η	0.0003765	Pa×s	503.27	Calculated Property
η	0.0002735	Pa×s	532.71	Calculated Property
η	0.0002054	Pa×s	562.14	Calculated Property
η	0.0001587	Pa×s	591.58	Calculated Property
η	0.0001257	Pa×s	621.01	Calculated Property
η	0.0001017	Pa×s	650.45	Calculated Property
η	0.0000837	Pa×s	679.88	Calculated Property

Similar Compounds

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

Sources

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

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