Chemical Properties of 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C13H24O2/c1-6-7-8-9-10-11(2)15-12(14)13(3,4)5/h9-11H,6-8H2,1-5H3/b10-9+

InChI Key

CIYFYDOFPMJDQX-MDZDMXLPSA-N

Formula

C13H24O2

SMILES

CCCCC=CC(C)OC(=O)C(C)(C)C

Molecular Weight¹

212.33

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[281.82; 669.54]	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			-2.38570e+01
Coefficient B			1.33580e+00
Coefficient C			-8.47600e-04
Coefficient D			2.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.82	J/mol×K	273.00	Calculated Property
Cp,gas	351.72	J/mol×K	353.78	Calculated Property
Cp,gas	413.40	J/mol×K	434.56	Calculated Property
Cp,gas	467.51	J/mol×K	515.33	Calculated Property
Cp,gas	514.70	J/mol×K	596.11	Calculated Property
Cp,gas	555.62	J/mol×K	676.89	Calculated Property
Cp,gas	590.91	J/mol×K	757.67	Calculated Property
Cp,gas	621.23	J/mol×K	838.44	Calculated Property
Cp,gas	647.23	J/mol×K	919.22	Calculated Property
Cp,gas	669.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0096396; 0.0001521]	Pa×s	[260.94; 518.64]	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			-1.29918e+01
Coefficient B			2.17884e+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.			260.94
Temperature range, max.			518.64
η	0.0096396	Pa×s	260.94	Calculated Property
η	0.0042216	Pa×s	289.57	Calculated Property
η	0.0021450	Pa×s	318.21	Calculated Property
η	0.0012188	Pa×s	346.84	Calculated Property
η	0.0007549	Pa×s	375.47	Calculated Property
η	0.0005004	Pa×s	404.11	Calculated Property
η	0.0003503	Pa×s	432.74	Calculated Property
η	0.0002563	Pa×s	461.37	Calculated Property
η	0.0001945	Pa×s	490.01	Calculated Property
η	0.0001521	Pa×s	518.64	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester.

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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