Chemical Properties of Succinic acid, 3-methylbut-2-yl 3-phenylpropyl ester

InChI

InChI=1S/C18H26O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3

InChI Key

MNBLNZOXQXAZAS-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)OCCCc1ccccc1

Molecular Weight¹

306.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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, Enthalpy of formation at standard conditions, 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	[362.12; 846.74]	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			7.50000e-02
Coefficient B			1.53716e+00
Coefficient C			-8.03800e-04
Coefficient D			1.13300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.12	J/mol×K	273.00	Calculated Property
Cp,gas	448.30	J/mol×K	353.78	Calculated Property
Cp,gas	525.57	J/mol×K	434.56	Calculated Property
Cp,gas	594.27	J/mol×K	515.33	Calculated Property
Cp,gas	654.76	J/mol×K	596.11	Calculated Property
Cp,gas	707.42	J/mol×K	676.89	Calculated Property
Cp,gas	752.58	J/mol×K	757.67	Calculated Property
Cp,gas	790.62	J/mol×K	838.44	Calculated Property
Cp,gas	821.88	J/mol×K	919.22	Calculated Property
Cp,gas	846.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023782; 0.0000789]	Pa×s	[373.70; 667.18]	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			-1.37851e+01
Coefficient B			2.89382e+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.			373.70
Temperature range, max.			667.18
η	0.0023782	Pa×s	373.70	Calculated Property
η	0.0012775	Pa×s	406.31	Calculated Property
η	0.0007526	Pa×s	438.92	Calculated Property
η	0.0004770	Pa×s	471.53	Calculated Property
η	0.0003207	Pa×s	504.14	Calculated Property
η	0.0002263	Pa×s	536.74	Calculated Property
η	0.0001662	Pa×s	569.35	Calculated Property
η	0.0001262	Pa×s	601.96	Calculated Property
η	0.0000986	Pa×s	634.57	Calculated Property
η	0.0000789	Pa×s	667.18	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-phenylpropyl ester.

Sources

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

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