Chemical Properties of Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl ester

InChI

InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h3-4,10H,2,5-9H2,1H3/b4-3+

InChI Key

HHTFMMFOZANOQM-ONEGZZNKSA-N

Formula

C12H18Cl2O4

SMILES

CCC=CCCOC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

297.18

• 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).
• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.65	kJ/mol	Joback Calculated Property
ΔvapH°	83.94	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.013		Crippen Calculated Property
McVol	215.000	ml/mol	McGowan Calculated Property
Pc	1774.35	kPa	Joback Calculated Property
Inp	[1873.00; 1873.00]
Inp	1873.00		NIST
Inp	1873.00		NIST
Tboil	575.29	K	Relay (1.0) Calculated Property
Tc	756.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation 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	[305.21; 641.14]	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			5.27160e+01
Coefficient B			1.07372e+00
Coefficient C			-5.67600e-04
Coefficient D			8.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.21	J/mol×K	273.00	Calculated Property
Cp,gas	365.18	J/mol×K	353.78	Calculated Property
Cp,gas	418.88	J/mol×K	434.56	Calculated Property
Cp,gas	466.57	J/mol×K	515.33	Calculated Property
Cp,gas	508.51	J/mol×K	596.11	Calculated Property
Cp,gas	544.97	J/mol×K	676.89	Calculated Property
Cp,gas	576.20	J/mol×K	757.67	Calculated Property
Cp,gas	602.46	J/mol×K	838.44	Calculated Property
Cp,gas	624.02	J/mol×K	919.22	Calculated Property
Cp,gas	641.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027285; 0.0001240]	Pa×s	[349.42; 601.67]	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			-1.32777e+01
Coefficient B			2.57650e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.42
Temperature range, max.			601.67
η	0.0027285	Pa×s	349.42	Calculated Property
η	0.0015781	Pa×s	377.45	Calculated Property
η	0.0009845	Pa×s	405.47	Calculated Property
η	0.0006528	Pa×s	433.50	Calculated Property
η	0.0004550	Pa×s	461.53	Calculated Property
η	0.0003306	Pa×s	489.56	Calculated Property
η	0.0002486	Pa×s	517.58	Calculated Property
η	0.0001925	Pa×s	545.61	Calculated Property
η	0.0001528	Pa×s	573.64	Calculated Property
η	0.0001240	Pa×s	601.67	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl 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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