Chemical Properties of Alpha-iodo propionic acid (CAS 598-80-1)

InChI

InChI=1S/C3H5IO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChI Key

KZLYQYPURWXOEW-UHFFFAOYSA-N

Formula

C3H5IO2

SMILES

CC(I)C(=O)O

Molecular Weight¹

199.98

CAS

598-80-1

• 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_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	[99.51; 194.59]	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			1.47700e+01
Coefficient B			3.84520e-01
Coefficient C			-2.96600e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	99.51	J/mol×K	273.00	Calculated Property
Cp,gas	117.75	J/mol×K	353.78	Calculated Property
Cp,gas	133.40	J/mol×K	434.56	Calculated Property
Cp,gas	146.74	J/mol×K	515.33	Calculated Property
Cp,gas	158.06	J/mol×K	596.11	Calculated Property
Cp,gas	167.65	J/mol×K	676.89	Calculated Property
Cp,gas	175.81	J/mol×K	757.67	Calculated Property
Cp,gas	182.83	J/mol×K	838.44	Calculated Property
Cp,gas	188.99	J/mol×K	919.22	Calculated Property
Cp,gas	194.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028108; 0.0003868]	Pa×s	[327.23; 519.23]	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			-1.12378e+01
Coefficient B			1.75510e+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.			327.23
Temperature range, max.			519.23
η	0.0028108	Pa×s	327.23	Calculated Property
η	0.0020242	Pa×s	348.56	Calculated Property
η	0.0015141	Pa×s	369.90	Calculated Property
η	0.0011689	Pa×s	391.23	Calculated Property
η	0.0009269	Pa×s	412.56	Calculated Property
η	0.0007520	Pa×s	433.89	Calculated Property
η	0.0006221	Pa×s	455.23	Calculated Property
η	0.0005235	Pa×s	476.56	Calculated Property
η	0.0004471	Pa×s	497.89	Calculated Property
η	0.0003868	Pa×s	519.23	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-iodo propionic acid.

Sources

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

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