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

InChI

InChI=1S/C12H22O2/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+

InChI Key

GMTXHKHXXKDNAQ-CSKARUKUSA-N

Formula

C12H22O2

SMILES

CCCC/C=C/C(C)OC(=O)CCC

Molecular Weight¹

198.31

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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 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	[262.07; 616.48]	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			1.52500e+00
Coefficient B			1.11496e+00
Coefficient C			-6.21400e-04
Coefficient D			1.21400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.07	J/mol×K	273.00	Calculated Property
Cp,gas	323.57	J/mol×K	353.78	Calculated Property
Cp,gas	378.65	J/mol×K	434.56	Calculated Property
Cp,gas	427.69	J/mol×K	515.33	Calculated Property
Cp,gas	471.07	J/mol×K	596.11	Calculated Property
Cp,gas	509.17	J/mol×K	676.89	Calculated Property
Cp,gas	542.38	J/mol×K	757.67	Calculated Property
Cp,gas	571.07	J/mol×K	838.44	Calculated Property
Cp,gas	595.65	J/mol×K	919.22	Calculated Property
Cp,gas	616.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0076842; 0.0001780]	Pa×s	[247.25; 499.31]	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			-1.23272e+01
Coefficient B			1.84414e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			247.25
Temperature range, max.			499.31
η	0.0076842	Pa×s	247.25	Calculated Property
η	0.0035976	Pa×s	275.26	Calculated Property
η	0.0019378	Pa×s	303.26	Calculated Property
η	0.0011589	Pa×s	331.27	Calculated Property
η	0.0007509	Pa×s	359.28	Calculated Property
η	0.0005180	Pa×s	387.28	Calculated Property
η	0.0003758	Pa×s	415.29	Calculated Property
η	0.0002838	Pa×s	443.30	Calculated Property
η	0.0002217	Pa×s	471.30	Calculated Property
η	0.0001780	Pa×s	499.31	Calculated Property

Similar Compounds

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

Sources

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

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