Chemical Properties of BUTANOIC ACID, 2,2-DIETHYL-

InChI

InChI=1S/C8H16O2/c1-4-8(5-2,6-3)7(9)10/h4-6H2,1-3H3,(H,9,10)

InChI Key

GHXNRYVDXNZXID-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

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

Molecular Weight¹

144.21

• 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).
• 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

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.35; 444.30]	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			-2.42570e+01
Coefficient B			9.40460e-01
Coefficient C			-6.55800e-04
Coefficient D			1.83900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.35	J/mol×K	273.00	Calculated Property
Cp,gas	234.52	J/mol×K	353.78	Calculated Property
Cp,gas	275.68	J/mol×K	434.56	Calculated Property
Cp,gas	311.40	J/mol×K	515.33	Calculated Property
Cp,gas	342.28	J/mol×K	596.11	Calculated Property
Cp,gas	368.89	J/mol×K	676.89	Calculated Property
Cp,gas	391.82	J/mol×K	757.67	Calculated Property
Cp,gas	411.64	J/mol×K	838.44	Calculated Property
Cp,gas	428.94	J/mol×K	919.22	Calculated Property
Cp,gas	444.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036464; 0.0002896]	Pa×s	[312.15; 504.61]	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			-1.22557e+01
Coefficient B			2.07320e+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.			312.15
Temperature range, max.			504.61
η	0.0036464	Pa×s	312.15	Calculated Property
η	0.0023819	Pa×s	333.53	Calculated Property
η	0.0016379	Pa×s	354.92	Calculated Property
η	0.0011752	Pa×s	376.30	Calculated Property
η	0.0008739	Pa×s	397.69	Calculated Property
η	0.0006698	Pa×s	419.07	Calculated Property
η	0.0005268	Pa×s	440.45	Calculated Property
η	0.0004236	Pa×s	461.84	Calculated Property
η	0.0003473	Pa×s	483.22	Calculated Property
η	0.0002896	Pa×s	504.61	Calculated Property

Similar Compounds

Find more compounds similar to BUTANOIC ACID, 2,2-DIETHYL-.

Sources

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

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