Chemical Properties of Succinic acid, 2,2-dichloroethyl phenethyl ester

InChI

InChI=1S/C14H16Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChI Key

KXYPMCUBOIWQCN-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

O=C(CCC(=O)OCC(Cl)Cl)OCCc1ccccc1

Molecular Weight¹

319.18

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.67	kJ/mol	Joback Calculated Property
ΔvapH°	98.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	2.899		Crippen Calculated Property
McVol	223.720	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[2222.00; 2222.00]
Inp	2222.00		NIST
Inp	2222.00		NIST
Tboil	624.58	K	Relay (1.0) Calculated Property
Tfus	297.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[304.39; 656.38]	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			3.11750e+01
Coefficient B			1.16480e+00
Coefficient C			-6.23800e-04
Coefficient D			8.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.39	J/mol×K	273.00	Calculated Property
Cp,gas	368.91	J/mol×K	353.78	Calculated Property
Cp,gas	426.46	J/mol×K	434.56	Calculated Property
Cp,gas	477.30	J/mol×K	515.33	Calculated Property
Cp,gas	521.69	J/mol×K	596.11	Calculated Property
Cp,gas	559.92	J/mol×K	676.89	Calculated Property
Cp,gas	592.23	J/mol×K	757.67	Calculated Property
Cp,gas	618.90	J/mol×K	838.44	Calculated Property
Cp,gas	640.19	J/mol×K	919.22	Calculated Property
Cp,gas	656.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016488; 0.0001058]	Pa×s	[403.46; 664.24]	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			-1.34022e+01
Coefficient B			2.82200e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.46
Temperature range, max.			664.24
η	0.0016488	Pa×s	403.46	Calculated Property
η	0.0010319	Pa×s	432.44	Calculated Property
η	0.0006849	Pa×s	461.41	Calculated Property
η	0.0004772	Pa×s	490.39	Calculated Property
η	0.0003462	Pa×s	519.36	Calculated Property
η	0.0002598	Pa×s	548.34	Calculated Property
η	0.0002006	Pa×s	577.31	Calculated Property
η	0.0001588	Pa×s	606.29	Calculated Property
η	0.0001285	Pa×s	635.26	Calculated Property
η	0.0001058	Pa×s	664.24	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl phenethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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