Chemical Properties of Fumaric acid, 2-chloropropyl nonyl ester

InChI

InChI=1S/C16H27ClO4/c1-3-4-5-6-7-8-9-12-20-15(18)10-11-16(19)21-13-14(2)17/h10-11,14H,3-9,12-13H2,1-2H3/b11-10+

InChI Key

CPJZMLBWUCJYLQ-ZHACJKMWSA-N

Formula

C16H27ClO4

SMILES

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

Molecular Weight¹

318.84

• 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	[376.66; 839.23]	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			3.61890e+01
Coefficient B			1.44694e+00
Coefficient C			-7.64800e-04
Coefficient D			1.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.66	J/mol×K	273.00	Calculated Property
Cp,gas	457.72	J/mol×K	353.78	Calculated Property
Cp,gas	530.46	J/mol×K	434.56	Calculated Property
Cp,gas	595.28	J/mol×K	515.33	Calculated Property
Cp,gas	652.57	J/mol×K	596.11	Calculated Property
Cp,gas	702.69	J/mol×K	676.89	Calculated Property
Cp,gas	746.03	J/mol×K	757.67	Calculated Property
Cp,gas	782.98	J/mol×K	838.44	Calculated Property
Cp,gas	813.92	J/mol×K	919.22	Calculated Property
Cp,gas	839.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022902; 0.0000894]	Pa×s	[364.58; 634.05]	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			-1.37093e+01
Coefficient B			2.78182e+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.			364.58
Temperature range, max.			634.05
η	0.0022902	Pa×s	364.58	Calculated Property
η	0.0012835	Pa×s	394.52	Calculated Property
η	0.0007805	Pa×s	424.46	Calculated Property
η	0.0005068	Pa×s	454.40	Calculated Property
η	0.0003471	Pa×s	484.34	Calculated Property
η	0.0002485	Pa×s	514.29	Calculated Property
η	0.0001845	Pa×s	544.23	Calculated Property
η	0.0001413	Pa×s	574.17	Calculated Property
η	0.0001112	Pa×s	604.11	Calculated Property
η	0.0000894	Pa×s	634.05	Calculated Property

Similar Compounds

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

Sources

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

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