Chemical Properties of Succinic acid, phenethyl 2-methylbutyl ester

InChI

InChI=1S/C17H24O4/c1-3-14(2)13-21-17(19)10-9-16(18)20-12-11-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3

InChI Key

ZJUFXWGPUVVJHF-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCC(C)COC(=O)CCC(=O)OCCc1ccccc1

Molecular Weight¹

292.37

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[341.22; 794.61]	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			2.66600e+00
Coefficient B			1.43624e+00
Coefficient C			-7.46200e-04
Coefficient D			1.01900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.22	J/mol×K	273.00	Calculated Property
Cp,gas	421.89	J/mol×K	353.78	Calculated Property
Cp,gas	494.24	J/mol×K	434.56	Calculated Property
Cp,gas	558.59	J/mol×K	515.33	Calculated Property
Cp,gas	615.25	J/mol×K	596.11	Calculated Property
Cp,gas	664.55	J/mol×K	676.89	Calculated Property
Cp,gas	706.82	J/mol×K	757.67	Calculated Property
Cp,gas	742.36	J/mol×K	838.44	Calculated Property
Cp,gas	771.52	J/mol×K	919.22	Calculated Property
Cp,gas	794.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020674; 0.0000958]	Pa×s	[377.43; 650.51]	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			-1.34990e+01
Coefficient B			2.76184e+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.			377.43
Temperature range, max.			650.51
η	0.0020674	Pa×s	377.43	Calculated Property
η	0.0011994	Pa×s	407.77	Calculated Property
η	0.0007503	Pa×s	438.11	Calculated Property
η	0.0004988	Pa×s	468.46	Calculated Property
η	0.0003485	Pa×s	498.80	Calculated Property
η	0.0002537	Pa×s	529.14	Calculated Property
η	0.0001911	Pa×s	559.48	Calculated Property
η	0.0001483	Pa×s	589.82	Calculated Property
η	0.0001179	Pa×s	620.16	Calculated Property
η	0.0000958	Pa×s	650.51	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenethyl 2-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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