Chemical Properties of Succinic acid, 2,3-dichlorophenyl but-2-en-1-yl ester

InChI

InChI=1S/C14H14Cl2O4/c1-2-3-9-19-12(17)7-8-13(18)20-11-6-4-5-10(15)14(11)16/h2-6H,7-9H2,1H3

InChI Key

AFXHVBQTVTVWCK-UHFFFAOYSA-N

Formula

C14H14Cl2O4

SMILES

CC=CCOC(=O)CCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

317.17

• 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°	42.61	kJ/mol	Joback Calculated Property
logPoct/wat	3.798		Crippen Calculated Property
McVol	219.420	ml/mol	McGowan Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		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	[295.80; 619.17]	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			4.72730e+01
Coefficient B			1.05992e+00
Coefficient C			-5.70320e-04
Coefficient D			8.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.80	J/mol×K	273.00	Calculated Property
Cp,gas	354.51	J/mol×K	353.78	Calculated Property
Cp,gas	406.92	J/mol×K	434.56	Calculated Property
Cp,gas	453.29	J/mol×K	515.33	Calculated Property
Cp,gas	493.87	J/mol×K	596.11	Calculated Property
Cp,gas	528.94	J/mol×K	676.89	Calculated Property
Cp,gas	558.74	J/mol×K	757.67	Calculated Property
Cp,gas	583.54	J/mol×K	838.44	Calculated Property
Cp,gas	603.60	J/mol×K	919.22	Calculated Property
Cp,gas	619.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008168; 0.0000958]	Pa×s	[438.42; 678.08]	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			-1.31726e+01
Coefficient B			2.65790e+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.			438.42
Temperature range, max.			678.08
η	0.0008168	Pa×s	438.42	Calculated Property
η	0.0005772	Pa×s	465.05	Calculated Property
η	0.0004236	Pa×s	491.68	Calculated Property
η	0.0003208	Pa×s	518.31	Calculated Property
η	0.0002497	Pa×s	544.94	Calculated Property
η	0.0001990	Pa×s	571.57	Calculated Property
η	0.0001618	Pa×s	598.20	Calculated Property
η	0.0001339	Pa×s	624.83	Calculated Property
η	0.0001125	Pa×s	651.46	Calculated Property
η	0.0000958	Pa×s	678.08	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dichlorophenyl but-2-en-1-yl 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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