Chemical Properties of Ethyl 3-iodobenzoate

InChI

InChI=1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChI Key

POGCXCWRMMXDAQ-UHFFFAOYSA-N

Formula

C9H9IO2

SMILES

CCOC(=O)c1cccc(I)c1

Molecular Weight¹

276.07

Other Names

• Benzoic acid, 3-iodo-, ethyl ester

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[423.20; 438.70]	K	[2.00; 3.20]
Tboilr	423.20	K	2.00	NIST
Tboilr	438.70	K	3.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.12; 379.36]	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			1.22010e+01
Coefficient B			7.04620e-01
Coefficient C			-4.16760e-04
Coefficient D			7.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.12	J/mol×K	273.00	Calculated Property
Cp,gas	212.83	J/mol×K	353.78	Calculated Property
Cp,gas	246.20	J/mol×K	434.56	Calculated Property
Cp,gas	275.49	J/mol×K	515.33	Calculated Property
Cp,gas	300.94	J/mol×K	596.11	Calculated Property
Cp,gas	322.79	J/mol×K	676.89	Calculated Property
Cp,gas	341.31	J/mol×K	757.67	Calculated Property
Cp,gas	356.75	J/mol×K	838.44	Calculated Property
Cp,gas	369.35	J/mol×K	919.22	Calculated Property
Cp,gas	379.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025551; 0.0002152]	Pa×s	[330.52; 583.72]	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			-1.16733e+01
Coefficient B			1.88518e+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.			330.52
Temperature range, max.			583.72
η	0.0025551	Pa×s	330.52	Calculated Property
η	0.0016335	Pa×s	358.65	Calculated Property
η	0.0011145	Pa×s	386.79	Calculated Property
η	0.0008008	Pa×s	414.92	Calculated Property
η	0.0006001	Pa×s	443.05	Calculated Property
η	0.0004655	Pa×s	471.18	Calculated Property
η	0.0003716	Pa×s	499.32	Calculated Property
η	0.0003038	Pa×s	527.45	Calculated Property
η	0.0002535	Pa×s	555.58	Calculated Property
η	0.0002152	Pa×s	583.72	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-iodobenzoate.

Sources

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

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