Chemical Properties of Propionic acid, 3-iodo-, heptadecyl ester

InChI

InChI=1S/C20H39IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20(22)17-18-21/h2-19H2,1H3

InChI Key

QCXRMVWNLJPIFE-UHFFFAOYSA-N

Formula

C20H39IO2

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCI

Molecular Weight¹

438.43

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.17; 1068.43]	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			2.18080e+01
Coefficient B			1.88802e+00
Coefficient C			-1.05100e-03
Coefficient D			2.09600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.17	J/mol×K	273.00	Calculated Property
Cp,gas	567.49	J/mol×K	353.78	Calculated Property
Cp,gas	660.99	J/mol×K	434.56	Calculated Property
Cp,gas	744.34	J/mol×K	515.33	Calculated Property
Cp,gas	818.21	J/mol×K	596.11	Calculated Property
Cp,gas	883.25	J/mol×K	676.89	Calculated Property
Cp,gas	940.13	J/mol×K	757.67	Calculated Property
Cp,gas	989.51	J/mol×K	838.44	Calculated Property
Cp,gas	1032.05	J/mol×K	919.22	Calculated Property
Cp,gas	1068.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014477; 0.0000830]	Pa×s	[415.55; 697.52]	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			-1.36098e+01
Coefficient B			2.93878e+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.			415.55
Temperature range, max.			697.52
η	0.0014477	Pa×s	415.55	Calculated Property
η	0.0008818	Pa×s	446.88	Calculated Property
η	0.0005731	Pa×s	478.21	Calculated Property
η	0.0003928	Pa×s	509.54	Calculated Property
η	0.0002812	Pa×s	540.87	Calculated Property
η	0.0002089	Pa×s	572.20	Calculated Property
η	0.0001600	Pa×s	603.53	Calculated Property
η	0.0001258	Pa×s	634.86	Calculated Property
η	0.0001012	Pa×s	666.19	Calculated Property
η	0.0000830	Pa×s	697.52	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 3-iodo-, heptadecyl ester.

Sources

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

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