Chemical Properties of octyl 2-hydroxypropanoate

InChI

InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3

InChI Key

SFBIZPBTKROSDE-UHFFFAOYSA-N

Formula

C11H22O3

SMILES

CCCCCCCCOC(=O)C(C)O

Molecular Weight¹

202.29

• 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	[267.36; 614.15]	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			2.19070e+01
Coefficient B			1.03394e+00
Coefficient C			-5.13600e-04
Coefficient D			7.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.36	J/mol×K	273.00	Calculated Property
Cp,gas	326.59	J/mol×K	353.78	Calculated Property
Cp,gas	380.12	J/mol×K	434.56	Calculated Property
Cp,gas	428.17	J/mol×K	515.33	Calculated Property
Cp,gas	470.97	J/mol×K	596.11	Calculated Property
Cp,gas	508.75	J/mol×K	676.89	Calculated Property
Cp,gas	541.72	J/mol×K	757.67	Calculated Property
Cp,gas	570.13	J/mol×K	838.44	Calculated Property
Cp,gas	594.20	J/mol×K	919.22	Calculated Property
Cp,gas	614.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0185486; 0.0001164]	Pa×s	[301.88; 537.39]	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			-1.55593e+01
Coefficient B			3.49333e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.88
Temperature range, max.			537.39
η	0.0185486	Pa×s	301.88	Calculated Property
η	0.0073693	Pa×s	328.05	Calculated Property
η	0.0033556	Pa×s	354.22	Calculated Property
η	0.0017027	Pa×s	380.38	Calculated Property
η	0.0009428	Pa×s	406.55	Calculated Property
η	0.0005607	Pa×s	432.72	Calculated Property
η	0.0003538	Pa×s	458.89	Calculated Property
η	0.0002347	Pa×s	485.05	Calculated Property
η	0.0001623	Pa×s	511.22	Calculated Property
η	0.0001164	Pa×s	537.39	Calculated Property

Similar Compounds

Find more compounds similar to octyl 2-hydroxypropanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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