Chemical Properties of Ethyl 2-hexenoate, trans- (CAS 27829-72-7)

InChI

InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+

InChI Key

SJRXWMQZUAOMRJ-VOTSOKGWSA-N

Formula

C8H14O2

SMILES

CCCC=CC(=O)OCC

Molecular Weight¹

142.20

CAS

27829-72-7

Other Names

• Ethyl trans-2-hexenoate
• 2-Hexenoic acid, ethyl ester, (E)-
• Ethyl (E)-2-hexenoate
• Ethyl (2E)-2-hexenoate
• trans-2-Hexenoic acid, ethyl ester
• Ethyl hex-2-enoate, (E)-
• (E)-Ethyl-2-hexenoate
• ethyl (E)hex-2-enoate

• 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).
• 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
ΔfG°	-137.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.03	kJ/mol	Joback Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	42.52	kJ/mol	Joback Calculated Property
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Inp	[1019.00; 1052.00]
Inp	1025.00		NIST
Inp	1020.00		NIST
Inp	1026.00		NIST
Inp	1024.00		NIST
Inp	1023.00		NIST
Inp	1049.00		NIST
Inp	1052.00		NIST
Inp	1040.00		NIST
Inp	1019.00		NIST
Inp	1024.00		NIST
I	[1328.00; 1367.00]
I	1334.00		NIST
I	1335.00		NIST
I	1336.00		NIST
I	Outlier 1367.00		NIST
I	1345.00		NIST
I	1338.00		NIST
I	1329.00		NIST
I	1328.00		NIST
Tboil	462.89	K	Joback Calculated Property
Tc	646.21	K	Joback Calculated Property
Tfus	247.00	K	Joback Calculated Property
Vc	0.487	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.30; 327.49]	J/mol×K	[462.89; 646.21]
Cp,gas	263.30	J/mol×K	462.89	Joback Calculated Property
Cp,gas	275.19	J/mol×K	493.44	Joback Calculated Property
Cp,gas	286.60	J/mol×K	524.00	Joback Calculated Property
Cp,gas	297.52	J/mol×K	554.55	Joback Calculated Property
Cp,gas	307.96	J/mol×K	585.10	Joback Calculated Property
Cp,gas	317.95	J/mol×K	615.66	Joback Calculated Property
Cp,gas	327.49	J/mol×K	646.21	Joback Calculated Property
η	[0.0002123; 0.0030324]	Pa×s	[247.00; 462.89]
η	0.0030324	Pa×s	247.00	Joback Calculated Property
η	0.0014687	Pa×s	282.98	Joback Calculated Property
η	0.0008378	Pa×s	318.96	Joback Calculated Property
η	0.0005355	Pa×s	354.94	Joback Calculated Property
η	0.0003717	Pa×s	390.93	Joback Calculated Property
η	0.0002744	Pa×s	426.91	Joback Calculated Property
η	0.0002123	Pa×s	462.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-hexenoate, trans-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.