Chemical Properties of Acetic acid, 2,4-dimethylpentyl ester

InChI

InChI=1S/C9H18O2/c1-7(2)5-8(3)6-11-9(4)10/h7-8H,5-6H2,1-4H3

InChI Key

DGDCXRLQMLLIJE-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CC(=O)OCC(C)CC(C)C

Molecular Weight¹

158.24

• 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).
• 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	[212.11; 492.83]	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			1.67520e+01
Coefficient B			8.15880e-01
Coefficient C			-3.77600e-04
Coefficient D			3.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.11	J/mol×K	273.00	Calculated Property
Cp,gas	259.81	J/mol×K	353.78	Calculated Property
Cp,gas	303.09	J/mol×K	434.56	Calculated Property
Cp,gas	342.10	J/mol×K	515.33	Calculated Property
Cp,gas	376.93	J/mol×K	596.11	Calculated Property
Cp,gas	407.73	J/mol×K	676.89	Calculated Property
Cp,gas	434.59	J/mol×K	757.67	Calculated Property
Cp,gas	457.65	J/mol×K	838.44	Calculated Property
Cp,gas	477.03	J/mol×K	919.22	Calculated Property
Cp,gas	492.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0178089; 0.0002282]	Pa×s	[203.52; 448.56]	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			-1.20039e+01
Coefficient B			1.62324e+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.			203.52
Temperature range, max.			448.56
η	0.0178089	Pa×s	203.52	Calculated Property
η	0.0069490	Pa×s	230.75	Calculated Property
η	0.0033073	Pa×s	257.97	Calculated Property
η	0.0018138	Pa×s	285.20	Calculated Property
η	0.0011046	Pa×s	312.43	Calculated Property
η	0.0007283	Pa×s	339.65	Calculated Property
η	0.0005108	Pa×s	366.88	Calculated Property
η	0.0003763	Pa×s	394.11	Calculated Property
η	0.0002884	Pa×s	421.34	Calculated Property
η	0.0002282	Pa×s	448.56	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2,4-dimethylpentyl ester.

Sources

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

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