Chemical Properties of 3-Hexenoic acid, ethyl ester, (E)- (CAS 26553-46-8)

InChI

InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+

InChI Key

VTSFIPHRNAESED-AATRIKPKSA-N

Formula

C8H14O2

SMILES

CC/C=C/CC(=O)OCC

Molecular Weight¹

142.20

CAS

26553-46-8

Other Names

• (E)-Ethyl-3-hexenoate
• Ethyl (3E)-3-hexenoate
• Ethyl (E)-3-hexenoate
• Ethyl 3-hexenoate
• Ethyl 3-hexenoate, trans
• Ethyl trans-3-hexenoate
• ethyl (E)-hex-3-enoate
• ethyl trans-hex-3-enoate

• 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_p : 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	0.3941		Relay (1.0) Calculated Property
ΔfG°	-213.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.05	kJ/mol	Joback Calculated Property
ΔvapH°	49.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.19		Relay (1.0) Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[981.00; 1012.00]
Inp	1006.00		NIST
Inp	1006.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	997.00		NIST
Inp	1012.00		NIST
Inp	1007.00		NIST
Inp	1008.00		NIST
Inp	1005.00		NIST
Inp	987.00		NIST
Inp	1006.00		NIST
Ip	[1269.00; 1304.00]
Ip	1304.00		NIST
Ip	1303.00		NIST
Ip	1284.00		NIST
Ip	1294.00		NIST
Ip	1270.00		NIST
Ip	1291.00		NIST
Ip	1291.00		NIST
Ip	1301.00		NIST
Ip	1269.00		NIST
Ip	1295.00		NIST
Ip	1292.00		NIST
Ip	1283.00		NIST
Ip	1289.00		NIST
Ip	1283.00		NIST
Ip	1289.00		NIST
Ip	1298.00		NIST
Ip	1270.00		NIST
Ip	1286.00		NIST
Ip	1287.00		NIST
Ip	1292.00		NIST
Ip	1294.00		NIST
Ip	1269.00		NIST
Tboil	426.86	K	Relay (1.0) Calculated Property
Tc	622.04	K	Relay (1.0) Calculated Property
Tfus	189.10	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.53; 409.58]	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			6.84300e+00
Coefficient B			7.29040e-01
Coefficient C			-4.00600e-04
Coefficient D			7.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.53	J/mol×K	273.00	Calculated Property
Cp,gas	217.91	J/mol×K	353.78	Calculated Property
Cp,gas	254.10	J/mol×K	434.56	Calculated Property
Cp,gas	286.32	J/mol×K	515.33	Calculated Property
Cp,gas	314.82	J/mol×K	596.11	Calculated Property
Cp,gas	339.82	J/mol×K	676.89	Calculated Property
Cp,gas	361.56	J/mol×K	757.67	Calculated Property
Cp,gas	380.28	J/mol×K	838.44	Calculated Property
Cp,gas	396.21	J/mol×K	919.22	Calculated Property
Cp,gas	409.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058194; 0.0002114]	Pa×s	[217.17; 437.50]	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			-1.17298e+01
Coefficient B			1.42968e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			217.17
Temperature range, max.			437.50
η	0.0058194	Pa×s	217.17	Calculated Property
η	0.0029870	Pa×s	241.65	Calculated Property
η	0.0017333	Pa×s	266.13	Calculated Property
η	0.0011024	Pa×s	290.61	Calculated Property
η	0.0007522	Pa×s	315.10	Calculated Property
η	0.0005423	Pa×s	339.58	Calculated Property
η	0.0004086	Pa×s	364.06	Calculated Property
η	0.0003190	Pa×s	388.54	Calculated Property
η	0.0002565	Pa×s	413.02	Calculated Property
η	0.0002114	Pa×s	437.50	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexenoic acid, ethyl ester, (E)-.

Mixtures

• Carbon dioxide + 3-Hexenoic acid, ethyl ester, (E)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.