Chemical Properties of Crotonic acid, octyl ester, trans-

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h4,10H,3,5-9,11H2,1-2H3

InChI Key

HULBECQFWZPEBI-ONNFQVAWSA-N

Formula

C12H22O2

SMILES

C/C=C/C(=O)OCCCCCCCC

Molecular Weight¹

198.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 Standard Gibbs free energy of formation 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	[262.38; 615.95]	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			3.20700e+00
Coefficient B			1.10904e+00
Coefficient C			-6.18200e-04
Coefficient D			1.21900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.38	J/mol×K	273.00	Calculated Property
Cp,gas	323.59	J/mol×K	353.78	Calculated Property
Cp,gas	378.41	J/mol×K	434.56	Calculated Property
Cp,gas	427.24	J/mol×K	515.33	Calculated Property
Cp,gas	470.46	J/mol×K	596.11	Calculated Property
Cp,gas	508.46	J/mol×K	676.89	Calculated Property
Cp,gas	541.63	J/mol×K	757.67	Calculated Property
Cp,gas	570.34	J/mol×K	838.44	Calculated Property
Cp,gas	594.98	J/mol×K	919.22	Calculated Property
Cp,gas	615.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049647; 0.0001915]	Pa×s	[262.25; 497.29]	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			-1.21932e+01
Coefficient B			1.80632e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			262.25
Temperature range, max.			497.29
η	0.0049647	Pa×s	262.25	Calculated Property
η	0.0026606	Pa×s	288.37	Calculated Property
η	0.0015815	Pa×s	314.48	Calculated Property
η	0.0010181	Pa×s	340.60	Calculated Property
η	0.0006979	Pa×s	366.71	Calculated Property
η	0.0005030	Pa×s	392.83	Calculated Property
η	0.0003776	Pa×s	418.94	Calculated Property
η	0.0002932	Pa×s	445.06	Calculated Property
η	0.0002342	Pa×s	471.17	Calculated Property
η	0.0001915	Pa×s	497.29	Calculated Property

Similar Compounds

Find more compounds similar to Crotonic acid, octyl ester, trans-.

Sources

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

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