Chemical Properties of Heptanoic acid, 2-propyl-, methyl ester (CAS 56247-53-1)

InChI

InChI=1S/C11H22O2/c1-4-6-7-9-10(8-5-2)11(12)13-3/h10H,4-9H2,1-3H3

InChI Key

IWCYIKHCWOSDAM-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCC(CCC)C(=O)OC

Molecular Weight¹

186.29

CAS

56247-53-1

• 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).
• 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, 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	[254.86; 595.48]	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			1.66160e+01
Coefficient B			9.99960e-01
Coefficient C			-4.83200e-04
Coefficient D			6.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.86	J/mol×K	273.00	Calculated Property
Cp,gas	312.65	J/mol×K	353.78	Calculated Property
Cp,gas	365.00	J/mol×K	434.56	Calculated Property
Cp,gas	412.10	J/mol×K	515.33	Calculated Property
Cp,gas	454.15	J/mol×K	596.11	Calculated Property
Cp,gas	491.35	J/mol×K	676.89	Calculated Property
Cp,gas	523.88	J/mol×K	757.67	Calculated Property
Cp,gas	551.95	J/mol×K	838.44	Calculated Property
Cp,gas	575.75	J/mol×K	919.22	Calculated Property
Cp,gas	595.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086813; 0.0002291]	Pa×s	[241.06; 476.39]	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			-1.21047e+01
Coefficient B			1.77374e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.06
Temperature range, max.			476.39
η	0.0086813	Pa×s	241.06	Calculated Property
η	0.0042255	Pa×s	267.21	Calculated Property
η	0.0023384	Pa×s	293.36	Calculated Property
η	0.0014257	Pa×s	319.50	Calculated Property
η	0.0009368	Pa×s	345.65	Calculated Property
η	0.0006530	Pa×s	371.80	Calculated Property
η	0.0004773	Pa×s	397.95	Calculated Property
η	0.0003626	Pa×s	424.09	Calculated Property
η	0.0002844	Pa×s	450.24	Calculated Property
η	0.0002291	Pa×s	476.39	Calculated Property

Similar Compounds

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

Sources

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

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