Chemical Properties of Butanoic acid, 2-ethyl-2-methyl- (CAS 19889-37-3)

InChI

InChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)

InChI Key

LHJPKLWGGMAUAN-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

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

Molecular Weight¹

130.18

CAS

19889-37-3

Other Names

• 2-Ethyl-2-methylbutanoic acid
• 2-Methyl-2-ethylbutanoic acid
• 2-ethyl-2-methylbutyric acid
• Butyric acid, 2-ethyl-2-methyl-

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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, Log10 of Water solubility in mol/l 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	[166.14; 392.71]	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			-2.33480e+01
Coefficient B			8.45460e-01
Coefficient C			-6.01400e-04
Coefficient D			1.72000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.14	J/mol×K	273.00	Calculated Property
Cp,gas	208.10	J/mol×K	353.78	Calculated Property
Cp,gas	244.60	J/mol×K	434.56	Calculated Property
Cp,gas	276.17	J/mol×K	515.33	Calculated Property
Cp,gas	303.37	J/mol×K	596.11	Calculated Property
Cp,gas	326.73	J/mol×K	676.89	Calculated Property
Cp,gas	346.80	J/mol×K	757.67	Calculated Property
Cp,gas	364.13	J/mol×K	838.44	Calculated Property
Cp,gas	379.25	J/mol×K	919.22	Calculated Property
Cp,gas	392.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020455; 0.0002964]	Pa×s	[331.67; 490.43]	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			-1.21590e+01
Coefficient B			1.97904e+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.			331.67
Temperature range, max.			490.43
η	0.0020455	Pa×s	331.67	Calculated Property
η	0.0015133	Pa×s	349.31	Calculated Property
η	0.0011525	Pa×s	366.95	Calculated Property
η	0.0008999	Pa×s	384.59	Calculated Property
η	0.0007181	Pa×s	402.23	Calculated Property
η	0.0005840	Pa×s	419.87	Calculated Property
η	0.0004829	Pa×s	437.51	Calculated Property
η	0.0004053	Pa×s	455.15	Calculated Property
η	0.0003446	Pa×s	472.79	Calculated Property
η	0.0002964	Pa×s	490.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[363.79; 512.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51007e+01
Coefficient B			-4.28329e+03
Coefficient C			-7.46320e+01
Temperature range, min.			363.79
Temperature range, max.			512.18
Pvap	1.33	kPa	363.79	Calculated Property
Pvap	2.96	kPa	380.28	Calculated Property
Pvap	6.07	kPa	396.77	Calculated Property
Pvap	11.61	kPa	413.25	Calculated Property
Pvap	20.88	kPa	429.74	Calculated Property
Pvap	35.66	kPa	446.23	Calculated Property
Pvap	58.19	kPa	462.72	Calculated Property
Pvap	91.24	kPa	479.20	Calculated Property
Pvap	138.11	kPa	495.69	Calculated Property
Pvap	202.63	kPa	512.18	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-ethyl-2-methyl-.

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
• The Yaws Handbook of Vapor Pressure

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