Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, propyl ester

InChI

InChI=1S/C12H24O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h10H,6-9H2,1-5H3

InChI Key

TXDNNEFZLUFLRT-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCOC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

200.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.61; 648.53]	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			-8.76600e+00
Coefficient B			1.22080e+00
Coefficient C			-7.09400e-04
Coefficient D			1.45900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.61	J/mol×K	273.00	Calculated Property
Cp,gas	340.80	J/mol×K	353.78	Calculated Property
Cp,gas	399.75	J/mol×K	434.56	Calculated Property
Cp,gas	451.93	J/mol×K	515.33	Calculated Property
Cp,gas	497.79	J/mol×K	596.11	Calculated Property
Cp,gas	537.80	J/mol×K	676.89	Calculated Property
Cp,gas	572.41	J/mol×K	757.67	Calculated Property
Cp,gas	602.10	J/mol×K	838.44	Calculated Property
Cp,gas	627.32	J/mol×K	919.22	Calculated Property
Cp,gas	648.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0112367; 0.0002010]	Pa×s	[254.75; 495.79]	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			-1.27651e+01
Coefficient B			2.10844e+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.			254.75
Temperature range, max.			495.79
η	0.0112367	Pa×s	254.75	Calculated Property
η	0.0051132	Pa×s	281.53	Calculated Property
η	0.0026678	Pa×s	308.32	Calculated Property
η	0.0015445	Pa×s	335.10	Calculated Property
η	0.0009695	Pa×s	361.88	Calculated Property
η	0.0006489	Pa×s	388.66	Calculated Property
η	0.0004574	Pa×s	415.45	Calculated Property
η	0.0003364	Pa×s	442.23	Calculated Property
η	0.0002562	Pa×s	469.01	Calculated Property
η	0.0002010	Pa×s	495.79	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, propyl ester.

Sources

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

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