Chemical Properties of Fumaric acid, 2-chloropropyl hexyl ester

InChI

InChI=1S/C13H21ClO4/c1-3-4-5-6-9-17-12(15)7-8-13(16)18-10-11(2)14/h7-8,11H,3-6,9-10H2,1-2H3/b8-7+

InChI Key

IXVHEHRRSGIADG-BQYQJAHWSA-N

Formula

C13H21ClO4

SMILES

CCCCCCOC(=O)C=CC(=O)OCC(C)Cl

Molecular Weight¹

276.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[313.02; 684.46]	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			3.89160e+01
Coefficient B			1.16194e+00
Coefficient C			-6.01600e-04
Coefficient D			8.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.02	J/mol×K	273.00	Calculated Property
Cp,gas	378.46	J/mol×K	353.78	Calculated Property
Cp,gas	437.23	J/mol×K	434.56	Calculated Property
Cp,gas	489.60	J/mol×K	515.33	Calculated Property
Cp,gas	535.83	J/mol×K	596.11	Calculated Property
Cp,gas	576.20	J/mol×K	676.89	Calculated Property
Cp,gas	610.98	J/mol×K	757.67	Calculated Property
Cp,gas	640.44	J/mol×K	838.44	Calculated Property
Cp,gas	664.84	J/mol×K	919.22	Calculated Property
Cp,gas	684.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033536; 0.0001234]	Pa×s	[330.77; 587.53]	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			-1.32538e+01
Coefficient B			2.49934e+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.			330.77
Temperature range, max.			587.53
η	0.0033536	Pa×s	330.77	Calculated Property
η	0.0018405	Pa×s	359.30	Calculated Property
η	0.0011034	Pa×s	387.83	Calculated Property
η	0.0007095	Pa×s	416.36	Calculated Property
η	0.0004828	Pa×s	444.89	Calculated Property
η	0.0003441	Pa×s	473.42	Calculated Property
η	0.0002549	Pa×s	501.94	Calculated Property
η	0.0001950	Pa×s	530.47	Calculated Property
η	0.0001534	Pa×s	559.00	Calculated Property
η	0.0001234	Pa×s	587.53	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-chloropropyl hexyl ester.

Sources

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

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