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

InChI

InChI=1S/C17H24O4/c1-5-14-8-6-7-9-15(14)21-17(19)11-10-16(18)20-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3

InChI Key

VLYZLCOAROJBJT-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCc1ccccc1OC(=O)CCC(=O)OC(C)C(C)C

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).
• 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

Property	Value	Unit	Source
ΔfusH°	35.13	kJ/mol	Joback Calculated Property
logPoct/wat	3.522		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Inp	[1963.00; 1963.00]
Inp	1963.00		NIST
Inp	1963.00		NIST
Tboil	591.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[343.46; 792.10]	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			1.52830e+01
Coefficient B			1.38268e+00
Coefficient C			-6.82360e-04
Coefficient D			7.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.46	J/mol×K	273.00	Calculated Property
Cp,gas	422.43	J/mol×K	353.78	Calculated Property
Cp,gas	493.56	J/mol×K	434.56	Calculated Property
Cp,gas	557.08	J/mol×K	515.33	Calculated Property
Cp,gas	613.24	J/mol×K	596.11	Calculated Property
Cp,gas	662.29	J/mol×K	676.89	Calculated Property
Cp,gas	704.45	J/mol×K	757.67	Calculated Property
Cp,gas	739.98	J/mol×K	838.44	Calculated Property
Cp,gas	769.12	J/mol×K	919.22	Calculated Property
Cp,gas	792.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020114; 0.0000869]	Pa×s	[374.95; 656.31]	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			-1.35390e+01
Coefficient B			2.74840e+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.			374.95
Temperature range, max.			656.31
η	0.0020114	Pa×s	374.95	Calculated Property
η	0.0011442	Pa×s	406.21	Calculated Property
η	0.0007056	Pa×s	437.47	Calculated Property
η	0.0004640	Pa×s	468.74	Calculated Property
η	0.0003216	Pa×s	500.00	Calculated Property
η	0.0002327	Pa×s	531.26	Calculated Property
η	0.0001746	Pa×s	562.52	Calculated Property
η	0.0001350	Pa×s	593.78	Calculated Property
η	0.0001071	Pa×s	625.04	Calculated Property
η	0.0000869	Pa×s	656.31	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-ethylphenyl 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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