Chemical Properties of 3-Hexen-1-ol, (E)- (CAS 928-97-2)

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+

InChI Key

UFLHIIWVXFIJGU-ONEGZZNKSA-N

Formula

C6H12O

SMILES

CCC=CCCO

Molecular Weight¹

100.16

CAS

928-97-2

Other Names

• (3E)-Hexenol
• (E)-3-Hexen-1-ol
• (E)-Hex-3-en-1-ol
• (E)-Hex-3-enol
• 3(E)-hexen-1-ol
• E-3-Hexenol
• trans-3-Hexen-1-ol
• trans-3-Hexenol
• trans-Hex-3-en-1-ol

• 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_boilr : Boiling point at reduced pressure (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	0.5581		Relay (1.0) Calculated Property
ΔfG°	-56.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-242.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.59	kJ/mol	Joback Calculated Property
ΔvapH°	57.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-0.81		Relay (1.0) Calculated Property
logPoct/wat	1.335		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
Pc	3673.09	kPa	Joback Calculated Property
Inp	[814.00; 873.00]
Inp	831.00		NIST
Inp	824.00		NIST
Inp	853.00		NIST
Inp	853.00		NIST
Inp	831.00		NIST
Inp	824.00		NIST
Inp	853.00		NIST
Inp	Outlier 873.00		NIST
Inp	853.00		NIST
Inp	840.00		NIST
Inp	855.00		NIST
Inp	852.00		NIST
Inp	851.00		NIST
Inp	861.00		NIST
Inp	860.00		NIST
Inp	856.00		NIST
Inp	852.00		NIST
Inp	856.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	827.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	823.00		NIST
Inp	823.00		NIST
Inp	832.00		NIST
Inp	846.00		NIST
Inp	850.00		NIST
Inp	855.00		NIST
Inp	845.00		NIST
Inp	843.00		NIST
Inp	851.70		NIST
Inp	853.00		NIST
Inp	850.00		NIST
Inp	844.00		NIST
Inp	852.00		NIST
Inp	844.00		NIST
Inp	850.00		NIST
Inp	864.00		NIST
Inp	848.00		NIST
Inp	857.00		NIST
Inp	842.00		NIST
Inp	862.00		NIST
Inp	864.00		NIST
Inp	836.00		NIST
Inp	836.00		NIST
Inp	836.00		NIST
Inp	852.00		NIST
Inp	830.00		NIST
Inp	830.00		NIST
Inp	825.00		NIST
Inp	826.00		NIST
Inp	829.00		NIST
Inp	830.00		NIST
Inp	844.00		NIST
Inp	853.00		NIST
Inp	858.00		NIST
Inp	854.00		NIST
Inp	857.00		NIST
Inp	855.00		NIST
Inp	869.00		NIST
Inp	858.00		NIST
Inp	833.00		NIST
Inp	854.00		NIST
Inp	858.00		NIST
Inp	842.00		NIST
Inp	828.00		NIST
Inp	840.00		NIST
Inp	830.00		NIST
Inp	Outlier 814.00		NIST
Inp	831.00		NIST
Inp	824.00		NIST
Inp	853.00		NIST
Inp	869.00		NIST
Inp	842.00		NIST
Inp	851.70		NIST
Inp	855.00		NIST
I	[1326.00; 1413.00]
I	1366.00		NIST
I	1361.00		NIST
I	1368.00		NIST
I	1366.00		NIST
I	1361.00		NIST
I	1368.00		NIST
I	1366.00		NIST
I	1370.00		NIST
I	1369.00		NIST
I	1370.00		NIST
I	Outlier 1334.00		NIST
I	1394.00		NIST
I	1374.00		NIST
I	1370.00		NIST
I	1373.00		NIST
I	1371.00		NIST
I	1373.00		NIST
I	1351.00		NIST
I	1379.00		NIST
I	1352.00		NIST
I	1381.00		NIST
I	1351.00		NIST
I	1364.00		NIST
I	1362.00		NIST
I	1349.00		NIST
I	1364.00		NIST
I	1369.20		NIST
I	1364.00		NIST
I	1377.00		NIST
I	1351.00		NIST
I	1346.00		NIST
I	1356.00		NIST
I	1349.00		NIST
I	1367.00		NIST
I	1367.00		NIST
I	1367.00		NIST
I	1357.00		NIST
I	1340.00		NIST
I	1371.00		NIST
I	1359.00		NIST
I	1386.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	1346.00		NIST
I	1374.00		NIST
I	1352.00		NIST
I	1384.00		NIST
I	1374.00		NIST
I	1386.00		NIST
I	1386.00		NIST
I	1358.00		NIST
I	1386.00		NIST
I	1366.00		NIST
I	1374.00		NIST
I	1366.00		NIST
I	1352.00		NIST
I	Outlier 1410.00		NIST
I	1369.00		NIST
I	1389.00		NIST
I	1362.00		NIST
I	1360.00		NIST
I	1365.00		NIST
I	1379.00		NIST
I	1366.00		NIST
I	1361.00		NIST
I	1359.00		NIST
I	1362.00		NIST
I	1365.00		NIST
I	1384.00		NIST
I	1369.00		NIST
I	Outlier 1400.00		NIST
I	1370.00		NIST
I	1365.00		NIST
I	1365.00		NIST
I	1385.00		NIST
I	1370.00		NIST
I	1351.00		NIST
I	1374.00		NIST
I	Outlier 1326.00		NIST
I	Outlier 1334.00		NIST
I	1368.00		NIST
I	Outlier 1413.00		NIST
I	1380.00		NIST
I	1363.00		NIST
I	1367.00		NIST
I	1367.00		NIST
I	1371.00		NIST
I	1371.00		NIST
I	1366.00		NIST
I	1371.00		NIST
I	1371.00		NIST
I	1372.00		NIST
I	1349.00		NIST
I	1367.00		NIST
I	1362.00		NIST
I	1346.00		NIST
I	Outlier 1401.00		NIST
I	1367.00		NIST
I	Outlier 1334.00		NIST
I	1356.00		NIST
I	1368.00		NIST
I	1372.00		NIST
I	1351.00		NIST
I	1365.00		NIST
I	1391.00		NIST
I	1372.00		NIST
I	1343.00		NIST
I	Outlier 1404.00		NIST
I	1374.00		NIST
I	1392.00		NIST
I	1376.00		NIST
I	1353.00		NIST
I	Outlier 1331.00		NIST
I	1358.00		NIST
I	1376.00		NIST
I	1342.00		NIST
I	1362.00		NIST
I	1371.00		NIST
I	1381.00		NIST
I	1364.00		NIST
I	1346.00		NIST
I	1367.00		NIST
I	1366.00		NIST
I	1394.00		NIST
I	1368.00		NIST
I	1358.00		NIST
I	1352.00		NIST
I	1360.00		NIST
I	1359.00		NIST
I	Outlier 1400.00		NIST
I	1370.00		NIST
I	1386.00		NIST
Tboil	427.70	K	NIST
Tc	613.28	K	Relay (1.0) Calculated Property
Tfus	186.62	K	Relay (1.0) Calculated Property
Vc	0.347	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.78; 240.99]	J/mol×K	[433.02; 601.76]
Cp,gas	191.78	J/mol×K	433.02	Joback Calculated Property
Cp,gas	200.94	J/mol×K	461.14	Joback Calculated Property
Cp,gas	209.69	J/mol×K	489.27	Joback Calculated Property
Cp,gas	218.06	J/mol×K	517.39	Joback Calculated Property
Cp,gas	226.05	J/mol×K	545.51	Joback Calculated Property
Cp,gas	233.69	J/mol×K	573.64	Joback Calculated Property
Cp,gas	240.99	J/mol×K	601.76	Joback Calculated Property
η	[0.0002006; 0.0918576]	Pa×s	[213.12; 433.02]
η	0.0918576	Pa×s	213.12	Joback Calculated Property
η	0.0156415	Pa×s	249.77	Joback Calculated Property
η	0.0041899	Pa×s	286.42	Joback Calculated Property
η	0.0015133	Pa×s	323.07	Joback Calculated Property
η	0.0006726	Pa×s	359.72	Joback Calculated Property
η	0.0003473	Pa×s	396.37	Joback Calculated Property
η	0.0002006	Pa×s	433.02	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[334.50; 334.70]	K	[1.60; 1.60]
Tboilr	334.70	K	1.60	NIST
Tboilr	334.50 ± 0.50	K	1.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[327.72; 451.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61892e+01
Coefficient B			-4.24776e+03
Coefficient C			-6.05930e+01
Temperature range, min.			327.72
Temperature range, max.			451.09
Pvap	1.33	kPa	327.72	Calculated Property
Pvap	2.90	kPa	341.43	Calculated Property
Pvap	5.86	kPa	355.14	Calculated Property
Pvap	11.12	kPa	368.84	Calculated Property
Pvap	20.00	kPa	382.55	Calculated Property
Pvap	34.28	kPa	396.26	Calculated Property
Pvap	56.32	kPa	409.97	Calculated Property
Pvap	89.13	kPa	423.67	Calculated Property
Pvap	136.41	kPa	437.38	Calculated Property
Pvap	202.64	kPa	451.09	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexen-1-ol, (E)-.

Sources

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

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