Chemical Properties of Octyl iodoacetate

InChI

InChI=1S/C10H19IO2/c1-2-3-4-5-6-7-8-13-10(12)9-11/h2-9H2,1H3

InChI Key

PTMGITASNQPNJJ-UHFFFAOYSA-N

Formula

C10H19IO2

SMILES

CCCCCCCCOC(=O)CI

Molecular Weight¹

298.16

• 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	[251.03; 552.52]	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			3.08980e+01
Coefficient B			9.38020e-01
Coefficient C			-5.07000e-04
Coefficient D			9.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.03	J/mol×K	273.00	Calculated Property
Cp,gas	303.30	J/mol×K	353.78	Calculated Property
Cp,gas	350.21	J/mol×K	434.56	Calculated Property
Cp,gas	392.05	J/mol×K	515.33	Calculated Property
Cp,gas	429.09	J/mol×K	596.11	Calculated Property
Cp,gas	461.64	J/mol×K	676.89	Calculated Property
Cp,gas	489.96	J/mol×K	757.67	Calculated Property
Cp,gas	514.36	J/mol×K	838.44	Calculated Property
Cp,gas	535.12	J/mol×K	919.22	Calculated Property
Cp,gas	552.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044683; 0.0002426]	Pa×s	[302.85; 542.55]	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			-1.20054e+01
Coefficient B			1.99718e+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.			302.85
Temperature range, max.			542.55
η	0.0044683	Pa×s	302.85	Calculated Property
η	0.0026220	Pa×s	329.48	Calculated Property
η	0.0016663	Pa×s	356.12	Calculated Property
η	0.0011279	Pa×s	382.75	Calculated Property
η	0.0008032	Pa×s	409.38	Calculated Property
η	0.0005962	Pa×s	436.02	Calculated Property
η	0.0004580	Pa×s	462.65	Calculated Property
η	0.0003621	Pa×s	489.29	Calculated Property
η	0.0002933	Pa×s	515.92	Calculated Property
η	0.0002426	Pa×s	542.55	Calculated Property

Similar Compounds

Find more compounds similar to Octyl iodoacetate.

Sources

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

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