Chemical Properties of Ethyl trans-4-decenoate (CAS 76649-16-6)

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+

InChI Key

AWNIQMQADACLCJ-CMDGGOBGSA-N

Formula

C12H22O2

SMILES

CCCCCC=CCCC(=O)OCC

Molecular Weight¹

198.30

CAS

76649-16-6

Other Names

• 4-Decenoic acid, ethyl ester, (E)-
• Ethyl (4E)-4-decenoate
• Ethyl 4E-decenoate
• Ethyl (E)-4-decenoate
• Ethyl trans-dec-4-enoate
• Methyl deca-4-enoate (trans)
• Methyl 4-decenoate (trans)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5840		Relay (1.0) Calculated Property
ΔfG°	-179.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-539.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.41	kJ/mol	Joback Calculated Property
ΔvapH°	67.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[1291.00; 1311.00]
Inp	1311.00		NIST
Inp	1291.00		NIST
Inp	1311.00		NIST
Inp	1291.00		NIST
Inp	1311.00		NIST
I	[1672.00; 1680.00]
I	1672.00		NIST
I	1680.00		NIST
Tboil	498.58	K	Relay (1.0) Calculated Property
Tc	684.27	K	Relay (1.0) Calculated Property
Tfus	208.38	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

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 Ethyl trans-4-decenoate.

Sources

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

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