Chemical Properties of Isopropoxyacetic acid (CAS 33445-07-7)

InChI

InChI=1S/C5H10O3/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI Key

OAIRTVZAAFZBMR-UHFFFAOYSA-N

Formula

C5H10O3

SMILES

CC(C)OCC(=O)O

Molecular Weight¹

118.13

CAS

33445-07-7

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.26; 307.10]	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			2.67610e+01
Coefficient B			4.72340e-01
Coefficient C			-2.13000e-04
Coefficient D			2.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.26	J/mol×K	273.00	Calculated Property
Cp,gas	168.14	J/mol×K	353.78	Calculated Property
Cp,gas	193.52	J/mol×K	434.56	Calculated Property
Cp,gas	216.48	J/mol×K	515.33	Calculated Property
Cp,gas	237.09	J/mol×K	596.11	Calculated Property
Cp,gas	255.40	J/mol×K	676.89	Calculated Property
Cp,gas	271.50	J/mol×K	757.67	Calculated Property
Cp,gas	285.43	J/mol×K	838.44	Calculated Property
Cp,gas	297.28	J/mol×K	919.22	Calculated Property
Cp,gas	307.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016665; 0.0002667]	Pa×s	[313.94; 473.10]	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			-1.18442e+01
Coefficient B			1.71009e+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.			313.94
Temperature range, max.			473.10
η	0.0016665	Pa×s	313.94	Calculated Property
η	0.0012464	Pa×s	331.62	Calculated Property
η	0.0009600	Pa×s	349.31	Calculated Property
η	0.0007583	Pa×s	366.99	Calculated Property
η	0.0006121	Pa×s	384.68	Calculated Property
η	0.0005034	Pa×s	402.36	Calculated Property
η	0.0004209	Pa×s	420.05	Calculated Property
η	0.0003571	Pa×s	437.73	Calculated Property
η	0.0003068	Pa×s	455.42	Calculated Property
η	0.0002667	Pa×s	473.10	Calculated Property

Similar Compounds

Find more compounds similar to Isopropoxyacetic acid.

Sources

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

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