Chemical Properties of Propionic acid, 2-methyl-2-hydroxy propyl ester (CAS 115665-44-6)

InChI

InChI=1S/C7H14O3/c1-5(2)7(9)10-4-6(3)8/h5-6,8H,4H2,1-3H3

InChI Key

TWVANRHJFGGUTM-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CC(O)COC(=O)C(C)C

Molecular Weight¹

146.18

CAS

115665-44-6

• 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	[182.19; 408.32]	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			2.38610e+01
Coefficient B			6.59860e-01
Coefficient C			-2.99200e-04
Coefficient D			2.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.19	J/mol×K	273.00	Calculated Property
Cp,gas	220.91	J/mol×K	353.78	Calculated Property
Cp,gas	256.06	J/mol×K	434.56	Calculated Property
Cp,gas	287.71	J/mol×K	515.33	Calculated Property
Cp,gas	315.93	J/mol×K	596.11	Calculated Property
Cp,gas	340.81	J/mol×K	676.89	Calculated Property
Cp,gas	362.41	J/mol×K	757.67	Calculated Property
Cp,gas	380.81	J/mol×K	838.44	Calculated Property
Cp,gas	396.09	J/mol×K	919.22	Calculated Property
Cp,gas	408.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1134750; 0.0001801]	Pa×s	[241.80; 477.95]	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			-1.52221e+01
Coefficient B			3.15451e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.80
Temperature range, max.			477.95
η	0.1134750	Pa×s	241.80	Calculated Property
η	0.0316425	Pa×s	268.04	Calculated Property
η	0.0110802	Pa×s	294.28	Calculated Property
η	0.0046072	Pa×s	320.52	Calculated Property
η	0.0021878	Pa×s	346.75	Calculated Property
η	0.0011537	Pa×s	372.99	Calculated Property
η	0.0006617	Pa×s	399.23	Calculated Property
η	0.0004065	Pa×s	425.47	Calculated Property
η	0.0002643	Pa×s	451.71	Calculated Property
η	0.0001801	Pa×s	477.95	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2-methyl-2-hydroxy propyl ester.

Sources

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

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