Chemical Properties of Pentanecarboxylic acid, 3-hydroxy-, methyl ester

InChI

InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3

InChI Key

ASZRODBLMORHAR-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

COC(=O)C1CCC(O)C1

Molecular Weight¹

144.17

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[151.86; 397.20]	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			-2.73200e+01
Coefficient B			7.53220e-01
Coefficient C			-3.64800e-04
Coefficient D			3.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.86	J/mol×K	273.00	Calculated Property
Cp,gas	195.09	J/mol×K	353.78	Calculated Property
Cp,gas	234.07	J/mol×K	434.56	Calculated Property
Cp,gas	268.90	J/mol×K	515.33	Calculated Property
Cp,gas	299.70	J/mol×K	596.11	Calculated Property
Cp,gas	326.58	J/mol×K	676.89	Calculated Property
Cp,gas	349.65	J/mol×K	757.67	Calculated Property
Cp,gas	369.04	J/mol×K	838.44	Calculated Property
Cp,gas	384.85	J/mol×K	919.22	Calculated Property
Cp,gas	397.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0179942; 0.0002337]	Pa×s	[278.46; 498.24]	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			-1.38650e+01
Coefficient B			2.74208e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			278.46
Temperature range, max.			498.24
η	0.0179942	Pa×s	278.46	Calculated Property
η	0.0081345	Pa×s	302.88	Calculated Property
η	0.0041398	Pa×s	327.30	Calculated Property
η	0.0023140	Pa×s	351.72	Calculated Property
η	0.0013949	Pa×s	376.14	Calculated Property
η	0.0008944	Pa×s	400.56	Calculated Property
η	0.0006035	Pa×s	424.98	Calculated Property
η	0.0004250	Pa×s	449.40	Calculated Property
η	0.0003104	Pa×s	473.82	Calculated Property
η	0.0002337	Pa×s	498.24	Calculated Property

Similar Compounds

Find more compounds similar to Pentanecarboxylic acid, 3-hydroxy-, methyl ester.

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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