Chemical Properties of Succinic acid, 4-isopropylphenyl 2-methoxyethyl ester

InChI

InChI=1S/C16H22O5/c1-12(2)13-4-6-14(7-5-13)21-16(18)9-8-15(17)20-11-10-19-3/h4-7,12H,8-11H2,1-3H3

InChI Key

NVRZENFMLDKQQY-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

COCCOC(=O)CCC(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

294.35

• 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

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	[337.96; 758.47]	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			4.33740e+01
Coefficient B			1.21856e+00
Coefficient C			-5.13760e-04
Coefficient D			1.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.96	J/mol×K	273.00	Calculated Property
Cp,gas	410.63	J/mol×K	353.78	Calculated Property
Cp,gas	476.73	J/mol×K	434.56	Calculated Property
Cp,gas	536.31	J/mol×K	515.33	Calculated Property
Cp,gas	589.39	J/mol×K	596.11	Calculated Property
Cp,gas	636.00	J/mol×K	676.89	Calculated Property
Cp,gas	676.19	J/mol×K	757.67	Calculated Property
Cp,gas	709.97	J/mol×K	838.44	Calculated Property
Cp,gas	737.39	J/mol×K	919.22	Calculated Property
Cp,gas	758.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011656; 0.0000825]	Pa×s	[400.91; 654.76]	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			-1.35852e+01
Coefficient B			2.73851e+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.			400.91
Temperature range, max.			654.76
η	0.0011656	Pa×s	400.91	Calculated Property
η	0.0007440	Pa×s	429.12	Calculated Property
η	0.0005019	Pa×s	457.32	Calculated Property
η	0.0003545	Pa×s	485.53	Calculated Property
η	0.0002601	Pa×s	513.73	Calculated Property
η	0.0001971	Pa×s	541.94	Calculated Property
η	0.0001535	Pa×s	570.14	Calculated Property
η	0.0001224	Pa×s	598.35	Calculated Property
η	0.0000996	Pa×s	626.55	Calculated Property
η	0.0000825	Pa×s	654.76	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-isopropylphenyl 2-methoxyethyl 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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