Chemical Properties of Dibenzyl succinate (CAS 103-43-5)

InChI

InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2

InChI Key

ODBOBZHTGBGYCK-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

O=C(CCC(=O)OCc1ccccc1)OCc1ccccc1

Molecular Weight¹

298.33

CAS

103-43-5

Other Names

• Butanedioic acid, bis(phenylmethyl) ester
• Benzyl succinate
• Spasmine
• Succinic acid dibenzyl ester
• Succinate, dibenzyl

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.49; 727.13]	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			-3.04660e+01
Coefficient B			1.44640e+00
Coefficient C			-8.28600e-04
Coefficient D			1.39800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.49	J/mol×K	273.00	Calculated Property
Cp,gas	383.72	J/mol×K	353.78	Calculated Property
Cp,gas	453.08	J/mol×K	434.56	Calculated Property
Cp,gas	513.99	J/mol×K	515.33	Calculated Property
Cp,gas	566.92	J/mol×K	596.11	Calculated Property
Cp,gas	612.30	J/mol×K	676.89	Calculated Property
Cp,gas	650.56	J/mol×K	757.67	Calculated Property
Cp,gas	682.16	J/mol×K	838.44	Calculated Property
Cp,gas	707.54	J/mol×K	919.22	Calculated Property
Cp,gas	727.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011160; 0.0000846]	Pa×s	[430.12; 704.03]	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			-1.34278e+01
Coefficient B			2.85160e+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.			430.12
Temperature range, max.			704.03
η	0.0011160	Pa×s	430.12	Calculated Property
η	0.0007201	Pa×s	460.55	Calculated Property
η	0.0004906	Pa×s	490.99	Calculated Property
η	0.0003495	Pa×s	521.42	Calculated Property
η	0.0002585	Pa×s	551.86	Calculated Property
η	0.0001973	Pa×s	582.29	Calculated Property
η	0.0001547	Pa×s	612.73	Calculated Property
η	0.0001241	Pa×s	643.16	Calculated Property
η	0.0001016	Pa×s	673.60	Calculated Property
η	0.0000846	Pa×s	704.03	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzyl succinate.

Sources

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

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