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

InChI

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

InChI Key

ZKDMGKMCPHTIES-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OC(C)C(C)C)c1C

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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.74	kJ/mol	Joback Calculated Property
logPoct/wat	3.577		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[346.01; 789.06]	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			2.95820e+01
Coefficient B			1.32320e+00
Coefficient C			-6.15320e-04
Coefficient D			5.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.01	J/mol×K	273.00	Calculated Property
Cp,gas	422.97	J/mol×K	353.78	Calculated Property
Cp,gas	492.62	J/mol×K	434.56	Calculated Property
Cp,gas	555.12	J/mol×K	515.33	Calculated Property
Cp,gas	610.63	J/mol×K	596.11	Calculated Property
Cp,gas	659.32	J/mol×K	676.89	Calculated Property
Cp,gas	701.34	J/mol×K	757.67	Calculated Property
Cp,gas	736.86	J/mol×K	838.44	Calculated Property
Cp,gas	766.05	J/mol×K	919.22	Calculated Property
Cp,gas	789.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015276; 0.0000860]	Pa×s	[387.47; 660.36]	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			-1.34450e+01
Coefficient B			2.69714e+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.			387.47
Temperature range, max.			660.36
η	0.0015276	Pa×s	387.47	Calculated Property
η	0.0009217	Pa×s	417.79	Calculated Property
η	0.0005955	Pa×s	448.11	Calculated Property
η	0.0004067	Pa×s	478.43	Calculated Property
η	0.0002906	Pa×s	508.75	Calculated Property
η	0.0002157	Pa×s	539.07	Calculated Property
η	0.0001652	Pa×s	569.40	Calculated Property
η	0.0001300	Pa×s	599.72	Calculated Property
η	0.0001047	Pa×s	630.04	Calculated Property
η	0.0000860	Pa×s	660.36	Calculated Property

Similar Compounds

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