Chemical Properties of 2-Hexen-1-ol, acetate, (E)- (CAS 2497-18-9)

InChI

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

InChI Key

HRHOWZHRCRZVCU-AATRIKPKSA-N

Formula

C8H14O2

SMILES

CCCC=CCOC(C)=O

Molecular Weight¹

142.20

CAS

2497-18-9

Other Names

• (E)-2-Hexen-1-yl acetate
• (E)-2-Hexenyl acetate
• (E)-Hex-2-enyl acetate
• 2-Hexen-1-ol acetate
• 2-Hexen-1-yl acetate
• 2-Hexen-1-yl-acetate, (E)-
• 2-Hexenyl acetate
• 2-Hexenyl acetate, trans-
• Hex-2-enyl acetate, trans-
• hex-2-en-1-yl acetate
• hex-2-enyl acetate
• trans-2-Hexenyl acetate
• trans-Hex-2-enyl acetate

• 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	0.4123		Relay (1.0) Calculated Property
ΔfG°	-137.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	50.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-2.17		Relay (1.0) 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	[991.00; 1028.00]
Inp	991.00		NIST
Inp	991.40		NIST
Inp	997.00		NIST
Inp	994.00		NIST
Inp	997.00		NIST
Inp	996.00		NIST
Inp	997.00		NIST
Inp	997.00		NIST
Inp	1017.00		NIST
Inp	1017.00		NIST
Inp	995.80		NIST
Inp	1019.00		NIST
Inp	1014.00		NIST
Inp	1020.00		NIST
Inp	1016.00		NIST
Inp	Outlier 1028.00		NIST
Inp	1018.00		NIST
Inp	994.00		NIST
Inp	995.00		NIST
Inp	1014.00		NIST
Inp	994.00		NIST
Inp	995.00		NIST
Inp	1010.00		NIST
Inp	1010.00		NIST
Inp	1003.00		NIST
Inp	1016.00		NIST
Inp	995.00		NIST
I	[1315.00; 1359.00]
I	Outlier 1359.00		NIST
I	1315.00		NIST
I	1315.00		NIST
I	1315.00		NIST
I	1339.00		NIST
I	1336.00		NIST
I	1338.00		NIST
I	1332.00		NIST
I	1322.00		NIST
I	1330.00		NIST
I	1338.00		NIST
I	1338.00		NIST
I	1334.00		NIST
I	1325.00		NIST
I	1323.00		NIST
I	1344.00		NIST
I	1337.00		NIST
I	1330.00		NIST
I	1340.00		NIST
I	1345.00		NIST
I	1346.00		NIST
I	1323.00		NIST
I	1340.00		NIST
I	Outlier 1354.00		NIST
I	1333.00		NIST
I	1321.00		NIST
I	1334.00		NIST
I	1323.00		NIST
I	1337.00		NIST
I	1331.00		NIST
I	1322.00		NIST
I	1325.00		NIST
I	1333.00		NIST
I	1333.00		NIST
I	1322.00		NIST
I	1325.00		NIST
I	1337.00		NIST
I	1320.00		NIST
I	1342.00		NIST
I	1341.00		NIST
I	1331.00		NIST
I	1323.00		NIST
I	1338.00		NIST
I	1344.00		NIST
I	1346.00		NIST
I	1315.00		NIST
Tboil	[438.00; 438.70]	K
Tboil	438.70	K	NIST
Tboil	438.00	K	NIST
Tc	608.84	K	Relay (1.0) Calculated Property
Tfus	185.34	K	Relay (1.0) Calculated Property
Vc	0.464	m3/kmol	Relay (1.0) 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	[0.0005140; 0.0009010]	Pa×s	[293.15; 333.15]
η	0.0009010	Pa×s	293.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0009010	Pa×s	293.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0008310	Pa×s	298.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0007700	Pa×s	303.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0007700	Pa×s	303.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0007150	Pa×s	308.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0006660	Pa×s	313.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0006660	Pa×s	313.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0006220	Pa×s	318.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005820	Pa×s	323.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005470	Pa×s	328.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005140	Pa×s	333.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[331.58; 469.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50611e+01
Coefficient B			-3.96667e+03
Coefficient C			-6.30810e+01
Temperature range, min.			331.58
Temperature range, max.			469.94
Pvap	1.33	kPa	331.58	Calculated Property
Pvap	2.97	kPa	346.95	Calculated Property
Pvap	6.08	kPa	362.33	Calculated Property
Pvap	11.63	kPa	377.70	Calculated Property
Pvap	20.92	kPa	393.07	Calculated Property
Pvap	35.72	kPa	408.45	Calculated Property
Pvap	58.27	kPa	423.82	Calculated Property
Pvap	91.34	kPa	439.19	Calculated Property
Pvap	138.20	kPa	454.57	Calculated Property
Pvap	202.67	kPa	469.94	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexen-1-ol, acetate, (E)-.

Mixtures

• Ethanol + 2-Hexen-1-ol, acetate, (E)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
• Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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