Chemical Properties of Pentanoic acid, 2,2-dimethyl-, ethyl ester

InChI

InChI=1S/C9H18O2/c1-5-7-9(3,4)8(10)11-6-2/h5-7H2,1-4H3

InChI Key

XZQBNCXOWSIKEK-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCC(C)(C)C(=O)OCC

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	[211.28; 493.22]	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			-4.35700e+00
Coefficient B			9.29880e-01
Coefficient C			-5.43000e-04
Coefficient D			1.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.28	J/mol×K	273.00	Calculated Property
Cp,gas	261.55	J/mol×K	353.78	Calculated Property
Cp,gas	306.27	J/mol×K	434.56	Calculated Property
Cp,gas	345.79	J/mol×K	515.33	Calculated Property
Cp,gas	380.45	J/mol×K	596.11	Calculated Property
Cp,gas	410.61	J/mol×K	676.89	Calculated Property
Cp,gas	436.62	J/mol×K	757.67	Calculated Property
Cp,gas	458.82	J/mol×K	838.44	Calculated Property
Cp,gas	477.57	J/mol×K	919.22	Calculated Property
Cp,gas	493.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0091767; 0.0002515]	Pa×s	[235.94; 449.07]	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			-1.22699e+01
Coefficient B			1.78814e+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.			235.94
Temperature range, max.			449.07
η	0.0091767	Pa×s	235.94	Calculated Property
η	0.0045969	Pa×s	259.62	Calculated Property
η	0.0025848	Pa×s	283.30	Calculated Property
η	0.0015884	Pa×s	306.98	Calculated Property
η	0.0010467	Pa×s	330.66	Calculated Property
η	0.0007292	Pa×s	354.35	Calculated Property
η	0.0005316	Pa×s	378.03	Calculated Property
η	0.0004022	Pa×s	401.71	Calculated Property
η	0.0003139	Pa×s	425.39	Calculated Property
η	0.0002515	Pa×s	449.07	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2,2-dimethyl-, ethyl ester.

Sources

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

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