Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 1-phenylpropyl ester

InChI

InChI=1S/C20H21ClO4/c1-3-18(15-7-5-4-6-8-15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-10,13,18H,3,11-12H2,1-2H3

InChI Key

MOHUJKQJRDPZFU-UHFFFAOYSA-N

Formula

C20H21ClO4

SMILES

CCC(OC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1)c1ccccc1

Molecular Weight¹

360.83

• 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°	44.27	kJ/mol	Joback Calculated Property
logPoct/wat	5.029		Crippen Calculated Property
McVol	272.260	ml/mol	McGowan Calculated Property
Inp	[2612.00; 2612.00]
Inp	2612.00		NIST
Inp	2612.00		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	[366.11; 833.04]	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			7.52300e+00
Coefficient B			1.53014e+00
Coefficient C			-8.26920e-04
Coefficient D			1.22300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.11	J/mol×K	273.00	Calculated Property
Cp,gas	450.77	J/mol×K	353.78	Calculated Property
Cp,gas	526.34	J/mol×K	434.56	Calculated Property
Cp,gas	593.19	J/mol×K	515.33	Calculated Property
Cp,gas	651.72	J/mol×K	596.11	Calculated Property
Cp,gas	702.31	J/mol×K	676.89	Calculated Property
Cp,gas	745.35	J/mol×K	757.67	Calculated Property
Cp,gas	781.23	J/mol×K	838.44	Calculated Property
Cp,gas	810.33	J/mol×K	919.22	Calculated Property
Cp,gas	833.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005596; 0.0000559]	Pa×s	[492.62; 770.69]	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			-1.38756e+01
Coefficient B			3.14654e+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.			492.62
Temperature range, max.			770.69
η	0.0005596	Pa×s	492.62	Calculated Property
η	0.0003839	Pa×s	523.52	Calculated Property
η	0.0002746	Pa×s	554.41	Calculated Property
η	0.0002035	Pa×s	585.31	Calculated Property
η	0.0001554	Pa×s	616.20	Calculated Property
η	0.0001218	Pa×s	647.10	Calculated Property
η	0.0000976	Pa×s	678.00	Calculated Property
η	0.0000797	Pa×s	708.89	Calculated Property
η	0.0000662	Pa×s	739.79	Calculated Property
η	0.0000559	Pa×s	770.69	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 1-phenylpropyl 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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