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 (E)-4-decenoate
• Ethyl 4E-decenoate
• Ethyl trans-dec-4-enoate
• Methyl 4-decenoate (trans)
• Methyl deca-4-enoate (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.12; 522.79]	J/mol×K	[536.54; 710.41]
Cp,gas	439.12	J/mol×K	536.54	Joback Calculated Property
Cp,gas	454.73	J/mol×K	565.52	Joback Calculated Property
Cp,gas	469.65	J/mol×K	594.50	Joback Calculated Property
Cp,gas	483.90	J/mol×K	623.48	Joback Calculated Property
Cp,gas	497.50	J/mol×K	652.45	Joback Calculated Property
Cp,gas	510.45	J/mol×K	681.43	Joback Calculated Property
Cp,gas	522.79	J/mol×K	710.41	Joback Calculated Property
η	[0.0001468; 0.0049647]	Pa×s	[262.25; 536.54]
η	0.0049647	Pa×s	262.25	Joback Calculated Property
η	0.0017859	Pa×s	307.96	Joback Calculated Property
η	0.0008368	Pa×s	353.68	Joback Calculated Property
η	0.0004664	Pa×s	399.39	Joback Calculated Property
η	0.0002931	Pa×s	445.11	Joback Calculated Property
η	0.0002008	Pa×s	490.82	Joback Calculated Property
η	0.0001468	Pa×s	536.54	Joback 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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