Chemical Properties of 2-Hydroxyethyl-2',2'-dimethylpropionate

InChI

InChI=1S/C7H14O3/c1-7(2,3)6(9)10-5-4-8/h8H,4-5H2,1-3H3

InChI Key

YMLMPWTWWZJGAZ-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CC(C)(C)C(=O)OCCO

Molecular Weight¹

146.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.36; 408.71]	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			2.75200e+00
Coefficient B			7.73860e-01
Coefficient C			-4.64600e-04
Coefficient D			9.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.36	J/mol×K	273.00	Calculated Property
Cp,gas	222.66	J/mol×K	353.78	Calculated Property
Cp,gas	259.24	J/mol×K	434.56	Calculated Property
Cp,gas	291.40	J/mol×K	515.33	Calculated Property
Cp,gas	319.45	J/mol×K	596.11	Calculated Property
Cp,gas	343.69	J/mol×K	676.89	Calculated Property
Cp,gas	364.43	J/mol×K	757.67	Calculated Property
Cp,gas	381.98	J/mol×K	838.44	Calculated Property
Cp,gas	396.64	J/mol×K	919.22	Calculated Property
Cp,gas	408.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0339385; 0.0001941]	Pa×s	[274.22; 478.23]	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			-1.54881e+01
Coefficient B			3.31941e+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.			274.22
Temperature range, max.			478.23
η	0.0339385	Pa×s	274.22	Calculated Property
η	0.0134679	Pa×s	296.89	Calculated Property
η	0.0060933	Pa×s	319.56	Calculated Property
η	0.0030622	Pa×s	342.22	Calculated Property
η	0.0016763	Pa×s	364.89	Calculated Property
η	0.0009846	Pa×s	387.56	Calculated Property
η	0.0006134	Pa×s	410.23	Calculated Property
η	0.0004015	Pa×s	432.90	Calculated Property
η	0.0002742	Pa×s	455.57	Calculated Property
η	0.0001941	Pa×s	478.23	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyethyl-2',2'-dimethylpropionate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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