Chemical Properties of 4-Pentenoic acid, 2,2-dimethyl-

InChI

InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)

InChI Key

BGUAPYRHJPWVEM-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.33; 364.20]	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			-2.63390e+01
Coefficient B			8.25440e-01
Coefficient C			-6.24300e-04
Coefficient D			1.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.33	J/mol×K	273.00	Calculated Property
Cp,gas	195.93	J/mol×K	353.78	Calculated Property
Cp,gas	230.01	J/mol×K	434.56	Calculated Property
Cp,gas	259.16	J/mol×K	515.33	Calculated Property
Cp,gas	283.99	J/mol×K	596.11	Calculated Property
Cp,gas	305.09	J/mol×K	676.89	Calculated Property
Cp,gas	323.06	J/mol×K	757.67	Calculated Property
Cp,gas	338.51	J/mol×K	838.44	Calculated Property
Cp,gas	352.02	J/mol×K	919.22	Calculated Property
Cp,gas	364.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019569; 0.0002916]	Pa×s	[329.91; 491.06]	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			-1.20376e+01
Coefficient B			1.91388e+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.			329.91
Temperature range, max.			491.06
η	0.0019569	Pa×s	329.91	Calculated Property
η	0.0014516	Pa×s	347.82	Calculated Property
η	0.0011088	Pa×s	365.72	Calculated Property
η	0.0008685	Pa×s	383.63	Calculated Property
η	0.0006953	Pa×s	401.53	Calculated Property
η	0.0005673	Pa×s	419.44	Calculated Property
η	0.0004706	Pa×s	437.34	Calculated Property
η	0.0003962	Pa×s	455.25	Calculated Property
η	0.0003379	Pa×s	473.15	Calculated Property
η	0.0002916	Pa×s	491.06	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentenoic acid, 2,2-dimethyl-.

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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