Chemical Properties of Succinic acid, 2,2-dichloroethyl 1-phenylpropyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-2-12(11-6-4-3-5-7-11)21-15(19)9-8-14(18)20-10-13(16)17/h3-7,12-13H,2,8-10H2,1H3

InChI Key

KQUHSOMAGSNQBG-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CCC(OC(=O)CCC(=O)OCC(Cl)Cl)c1ccccc1

Molecular Weight¹

333.21

• 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°	38.73	kJ/mol	Joback Calculated Property
logPoct/wat	3.808		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		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	[325.29; 708.50]	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			2.85840e+01
Coefficient B			1.26572e+00
Coefficient C			-6.81400e-04
Coefficient D			9.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.29	J/mol×K	273.00	Calculated Property
Cp,gas	395.32	J/mol×K	353.78	Calculated Property
Cp,gas	457.78	J/mol×K	434.56	Calculated Property
Cp,gas	512.98	J/mol×K	515.33	Calculated Property
Cp,gas	561.21	J/mol×K	596.11	Calculated Property
Cp,gas	602.78	J/mol×K	676.89	Calculated Property
Cp,gas	637.99	J/mol×K	757.67	Calculated Property
Cp,gas	667.15	J/mol×K	838.44	Calculated Property
Cp,gas	690.55	J/mol×K	919.22	Calculated Property
Cp,gas	708.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018321; 0.0000868]	Pa×s	[399.73; 680.52]	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			-1.36922e+01
Coefficient B			2.95398e+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.			399.73
Temperature range, max.			680.52
η	0.0018321	Pa×s	399.73	Calculated Property
η	0.0010730	Pa×s	430.93	Calculated Property
η	0.0006755	Pa×s	462.13	Calculated Property
η	0.0004509	Pa×s	493.33	Calculated Property
η	0.0003158	Pa×s	524.53	Calculated Property
η	0.0002302	Pa×s	555.73	Calculated Property
η	0.0001735	Pa×s	586.92	Calculated Property
η	0.0001346	Pa×s	618.12	Calculated Property
η	0.0001070	Pa×s	649.32	Calculated Property
η	0.0000868	Pa×s	680.52	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 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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