Chemical Properties of 2-Hexenoic acid, (E)- (CAS 13419-69-7)

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-

InChI Key

NIONDZDPPYHYKY-SNAWJCMRSA-N

Formula

C6H10O2

SMILES

CCC/C=C/C(=O)O

Molecular Weight¹

114.14

CAS

13419-69-7

Other Names

• (2E)-2-Hexenoic acid
• (2E)-Hexenoic acid
• (E)-2-Hexenoic acid
• 2-Hexenoic acid, trans-
• trans-2-Hexenoic acid
• trans-hex-2-enoic acid

• 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).
• P_vap : Vapor 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	0.6325		Relay (1.0) Calculated Property
ΔfG°	-264.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.64	kJ/mol	Joback Calculated Property
ΔvapH°	67.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-1.64		Relay (1.0) Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Inp	[1042.00; 1047.00]
Inp	1042.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1042.00		NIST
I	[1922.00; 2002.00]
I	1933.00		NIST
I	1941.00		NIST
I	1983.00		NIST
I	1951.00		NIST
I	1967.00		NIST
I	1967.00		NIST
I	1938.00		NIST
I	Outlier 2002.00		NIST
I	1967.00		NIST
I	1962.00		NIST
I	1970.00		NIST
I	1969.00		NIST
I	1971.00		NIST
I	1922.00		NIST
I	1951.00		NIST
I	1967.00		NIST
I	1922.00		NIST
Tboil	490.20	K	NIST
Tc	658.97	K	Relay (1.0) Calculated Property
Tfus	307.65 ± 1.00	K	NIST
Vc	0.351	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.38; 309.07]	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			-1.21480e+01
Coefficient B			6.44620e-01
Coefficient C			-4.59000e-04
Coefficient D			1.35600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.38	J/mol×K	273.00	Calculated Property
Cp,gas	164.46	J/mol×K	353.78	Calculated Property
Cp,gas	192.43	J/mol×K	434.56	Calculated Property
Cp,gas	216.71	J/mol×K	515.33	Calculated Property
Cp,gas	237.74	J/mol×K	596.11	Calculated Property
Cp,gas	255.94	J/mol×K	676.89	Calculated Property
Cp,gas	271.74	J/mol×K	757.67	Calculated Property
Cp,gas	285.58	J/mol×K	838.44	Calculated Property
Cp,gas	297.88	J/mol×K	919.22	Calculated Property
Cp,gas	309.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017020; 0.0002582]	Pa×s	[307.65; 479.21]	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			-1.16435e+01
Coefficient B			1.62058e+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.			307.65
Temperature range, max.			479.21
η	0.0017020	Pa×s	307.65	Calculated Property
η	0.0012517	Pa×s	326.71	Calculated Property
η	0.0009522	Pa×s	345.77	Calculated Property
η	0.0007454	Pa×s	364.84	Calculated Property
η	0.0005979	Pa×s	383.90	Calculated Property
η	0.0004896	Pa×s	402.96	Calculated Property
η	0.0004083	Pa×s	422.02	Calculated Property
η	0.0003459	Pa×s	441.08	Calculated Property
η	0.0002970	Pa×s	460.15	Calculated Property
η	0.0002582	Pa×s	479.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[374.12; 517.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56880e+01
Coefficient B			-4.56942e+03
Coefficient C			-7.74120e+01
Temperature range, min.			374.12
Temperature range, max.			517.77
Pvap	1.33	kPa	374.12	Calculated Property
Pvap	2.93	kPa	390.08	Calculated Property
Pvap	5.95	kPa	406.04	Calculated Property
Pvap	11.33	kPa	422.00	Calculated Property
Pvap	20.38	kPa	437.96	Calculated Property
Pvap	34.88	kPa	453.93	Calculated Property
Pvap	57.13	kPa	469.89	Calculated Property
Pvap	90.05	kPa	485.85	Calculated Property
Pvap	137.16	kPa	501.81	Calculated Property
Pvap	202.63	kPa	517.77	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexenoic acid, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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