Chemical Properties of Succinic acid, 2-methylphenyl 2-chloroethyl ester

InChI

InChI=1S/C13H15ClO4/c1-10-4-2-3-5-11(10)18-13(16)7-6-12(15)17-9-8-14/h2-5H,6-9H2,1H3

InChI Key

LVVLWWNNOASXFD-UHFFFAOYSA-N

Formula

C13H15ClO4

SMILES

Cc1ccccc1OC(=O)CCC(=O)OCCCl

Molecular Weight¹

270.71

• 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).
• IE : Ionization energy (eV).
• 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°	36.01	kJ/mol	Joback Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	2.463		Crippen Calculated Property
McVol	197.390	ml/mol	McGowan Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		NIST
Tboil	595.35	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, 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	[272.63; 592.93]	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			3.51740e+01
Coefficient B			9.97620e-01
Coefficient C			-4.78760e-04
Coefficient D			3.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.63	J/mol×K	273.00	Calculated Property
Cp,gas	329.91	J/mol×K	353.78	Calculated Property
Cp,gas	381.48	J/mol×K	434.56	Calculated Property
Cp,gas	427.46	J/mol×K	515.33	Calculated Property
Cp,gas	467.98	J/mol×K	596.11	Calculated Property
Cp,gas	503.16	J/mol×K	676.89	Calculated Property
Cp,gas	533.12	J/mol×K	757.67	Calculated Property
Cp,gas	557.99	J/mol×K	838.44	Calculated Property
Cp,gas	577.89	J/mol×K	919.22	Calculated Property
Cp,gas	592.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014799; 0.0001380]	Pa×s	[389.79; 623.50]	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			-1.28459e+01
Coefficient B			2.46744e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			389.79
Temperature range, max.			623.50
η	0.0014799	Pa×s	389.79	Calculated Property
η	0.0009966	Pa×s	415.76	Calculated Property
η	0.0007031	Pa×s	441.73	Calculated Property
η	0.0005156	Pa×s	467.69	Calculated Property
η	0.0003906	Pa×s	493.66	Calculated Property
η	0.0003043	Pa×s	519.63	Calculated Property
η	0.0002427	Pa×s	545.60	Calculated Property
η	0.0001977	Pa×s	571.57	Calculated Property
η	0.0001638	Pa×s	597.53	Calculated Property
η	0.0001380	Pa×s	623.50	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylphenyl 2-chloroethyl 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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