Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2-propylphenyl ester

InChI

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

InChI Key

OMDPJHQJBAPOOK-UHFFFAOYSA-N

Formula

C20H21ClO4

SMILES

CCCc1ccccc1OC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.41	kJ/mol	Joback Calculated Property
logPoct/wat	4.892		Crippen Calculated Property
McVol	272.260	ml/mol	McGowan Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	665.28	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	[368.98; 829.46]	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			2.35040e+01
Coefficient B			1.46474e+00
Coefficient C			-7.56680e-04
Coefficient D			9.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.98	J/mol×K	273.00	Calculated Property
Cp,gas	451.33	J/mol×K	353.78	Calculated Property
Cp,gas	525.16	J/mol×K	434.56	Calculated Property
Cp,gas	590.78	J/mol×K	515.33	Calculated Property
Cp,gas	648.50	J/mol×K	596.11	Calculated Property
Cp,gas	698.64	J/mol×K	676.89	Calculated Property
Cp,gas	741.49	J/mol×K	757.67	Calculated Property
Cp,gas	777.37	J/mol×K	838.44	Calculated Property
Cp,gas	806.59	J/mol×K	919.22	Calculated Property
Cp,gas	829.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004225; 0.0000618]	Pa×s	[520.14; 773.00]	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			-1.36476e+01
Coefficient B			3.05746e+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.			520.14
Temperature range, max.			773.00
η	0.0004225	Pa×s	520.14	Calculated Property
η	0.0003126	Pa×s	548.24	Calculated Property
η	0.0002382	Pa×s	576.33	Calculated Property
η	0.0001861	Pa×s	604.43	Calculated Property
η	0.0001487	Pa×s	632.52	Calculated Property
η	0.0001210	Pa×s	660.62	Calculated Property
η	0.0001002	Pa×s	688.71	Calculated Property
η	0.0000842	Pa×s	716.81	Calculated Property
η	0.0000717	Pa×s	744.90	Calculated Property
η	0.0000618	Pa×s	773.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2-propylphenyl 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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