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

• 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).
• 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
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	[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	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	[0.0005140; 0.0009010]	Pa×s	[293.15; 333.15]
η	0.0009010	Pa×s	293.15	Density...
η	0.0009010	Pa×s	293.15	Density...
η	0.0008310	Pa×s	298.15	Density...
η	0.0007700	Pa×s	303.15	Density...
η	0.0007700	Pa×s	303.15	Density...
η	0.0007150	Pa×s	308.15	Density...
η	0.0006660	Pa×s	313.15	Density...
η	0.0006660	Pa×s	313.15	Density...
η	0.0006220	Pa×s	318.15	Density...
η	0.0005820	Pa×s	323.15	Density...
η	0.0005470	Pa×s	328.15	Density...
η	0.0005140	Pa×s	333.15	Density...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[331.58; 469.94]	The Yaw...
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

• 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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