Chemical Properties of Propyl 3-(2-hydroxyphenyl)propanoate (CAS 59116-13-1)

InChI

InChI=1S/C12H16O3/c1-2-9-15-12(14)8-7-10-5-3-4-6-11(10)13/h3-6,13H,2,7-9H2,1H3

InChI Key

WOQCBCOZVWYLKS-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCCOC(=O)CCc1ccccc1O

Molecular Weight¹

208.25

CAS

59116-13-1

• 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).
• I_np : Non-polar retention indices.
• 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 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	[236.02; 550.42]	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			-2.54360e+01
Coefficient B			1.16472e+00
Coefficient C			-8.21960e-04
Coefficient D			2.33100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.02	J/mol×K	273.00	Calculated Property
Cp,gas	294.06	J/mol×K	353.78	Calculated Property
Cp,gas	344.61	J/mol×K	434.56	Calculated Property
Cp,gas	388.40	J/mol×K	515.33	Calculated Property
Cp,gas	426.16	J/mol×K	596.11	Calculated Property
Cp,gas	458.64	J/mol×K	676.89	Calculated Property
Cp,gas	486.57	J/mol×K	757.67	Calculated Property
Cp,gas	510.68	J/mol×K	838.44	Calculated Property
Cp,gas	531.72	J/mol×K	919.22	Calculated Property
Cp,gas	550.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010604; 0.0000331]	Pa×s	[405.47; 597.38]	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			-1.76422e+01
Coefficient B			4.37628e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			405.47
Temperature range, max.			597.38
η	0.0010604	Pa×s	405.47	Calculated Property
η	0.0006184	Pa×s	426.79	Calculated Property
η	0.0003796	Pa×s	448.12	Calculated Property
η	0.0002436	Pa×s	469.44	Calculated Property
η	0.0001625	Pa×s	490.76	Calculated Property
η	0.0001121	Pa×s	512.09	Calculated Property
η	0.0000797	Pa×s	533.41	Calculated Property
η	0.0000581	Pa×s	554.73	Calculated Property
η	0.0000434	Pa×s	576.05	Calculated Property
η	0.0000331	Pa×s	597.38	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 3-(2-hydroxyphenyl)propanoate.

Sources

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

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