Chemical Properties of Acetic acid, iodo- (CAS 64-69-7)

InChI

InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)

InChI Key

JDNTWHVOXJZDSN-UHFFFAOYSA-N

Formula

C2H3IO2

SMILES

O=C(O)CI

Molecular Weight¹

185.95

CAS

64-69-7

Other Names

• CH2ICOOH
• IA
• Iodoacetic acid
• Kyselina jodoctova
• MIA
• Monoiodoacetic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
ω	0.5931		Relay (1.0) Calculated Property
ΔfG°	-319.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.49	kJ/mol	Joback Calculated Property
ΔsubH°	86.50 ± 1.00	kJ/mol	NIST
ΔvapH°	67.19	kJ/mol	Relay (1.0) Calculated Property
IE	[9.60; 11.03]	eV
IE	9.60	eV	NIST
IE	11.03	eV	NIST
log10WS	-0.03		Relay (1.0) Calculated Property
logPoct/wat	0.506		Crippen Calculated Property
McVol	72.300	ml/mol	McGowan Calculated Property
Pc	5544.32	kPa	Joback Calculated Property
Tboil	502.42	K	Relay (1.0) Calculated Property
Tc	791.85	K	Relay (1.0) Calculated Property
Tfus	354.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.257	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[78.61; 142.46]	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			1.73610e+01
Coefficient B			2.83600e-01
Coefficient C			-2.39000e-04
Coefficient D			8.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	78.61	J/mol×K	273.00	Calculated Property
Cp,gas	91.34	J/mol×K	353.78	Calculated Property
Cp,gas	102.07	J/mol×K	434.56	Calculated Property
Cp,gas	111.06	J/mol×K	515.33	Calculated Property
Cp,gas	118.54	J/mol×K	596.11	Calculated Property
Cp,gas	124.79	J/mol×K	676.89	Calculated Property
Cp,gas	130.05	J/mol×K	757.67	Calculated Property
Cp,gas	134.58	J/mol×K	838.44	Calculated Property
Cp,gas	138.63	J/mol×K	919.22	Calculated Property
Cp,gas	142.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016709; 0.0004317]	Pa×s	[354.15; 502.57]	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			-1.09775e+01
Coefficient B			1.62312e+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.			354.15
Temperature range, max.			502.57
η	0.0016709	Pa×s	354.15	Calculated Property
η	0.0013627	Pa×s	370.64	Calculated Property
η	0.0011308	Pa×s	387.13	Calculated Property
η	0.0009527	Pa×s	403.62	Calculated Property
η	0.0008136	Pa×s	420.11	Calculated Property
η	0.0007031	Pa×s	436.61	Calculated Property
η	0.0006142	Pa×s	453.10	Calculated Property
η	0.0005416	Pa×s	469.59	Calculated Property
η	0.0004816	Pa×s	486.08	Calculated Property
η	0.0004317	Pa×s	502.57	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, iodo-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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