Chemical Properties of 2,3-Diethylpentanoic acid (CAS 116659-88-2)

InChI

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

InChI Key

OGOLANDEOQZZKM-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCC(CC)C(CC)C(=O)O

Molecular Weight¹

158.24

CAS

116659-88-2

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[209.40; 495.50]	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			-4.05700e+00
Coefficient B			9.21460e-01
Coefficient C			-5.44800e-04
Coefficient D			1.22900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.40	J/mol×K	273.00	Calculated Property
Cp,gas	259.19	J/mol×K	353.78	Calculated Property
Cp,gas	303.57	J/mol×K	434.56	Calculated Property
Cp,gas	342.94	J/mol×K	515.33	Calculated Property
Cp,gas	377.68	J/mol×K	596.11	Calculated Property
Cp,gas	408.17	J/mol×K	676.89	Calculated Property
Cp,gas	434.81	J/mol×K	757.67	Calculated Property
Cp,gas	457.99	J/mol×K	838.44	Calculated Property
Cp,gas	478.09	J/mol×K	919.22	Calculated Property
Cp,gas	495.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028144; 0.0002659]	Pa×s	[321.79; 518.28]	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			-1.20959e+01
Coefficient B			2.00246e+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.			321.79
Temperature range, max.			518.28
η	0.0028144	Pa×s	321.79	Calculated Property
η	0.0018953	Pa×s	343.62	Calculated Property
η	0.0013381	Pa×s	365.46	Calculated Property
η	0.0009825	Pa×s	387.29	Calculated Property
η	0.0007456	Pa×s	409.12	Calculated Property
η	0.0005819	Pa×s	430.95	Calculated Property
η	0.0004651	Pa×s	452.79	Calculated Property
η	0.0003795	Pa×s	474.62	Calculated Property
η	0.0003152	Pa×s	496.45	Calculated Property
η	0.0002659	Pa×s	518.28	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Diethylpentanoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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