Chemical Properties of 4-Hexen-1-ol (CAS 6126-50-7)

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+

InChI Key

VTIODUHBZHNXFP-NSCUHMNNSA-N

Formula

C6H12O

SMILES

CC=CCCCO

Molecular Weight¹

100.16

CAS

6126-50-7

Other Names

• 4-Hexenol

• 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_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	0.5854		Relay (1.0) Calculated Property
ΔfG°	-56.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.59	kJ/mol	Joback Calculated Property
ΔvapH°	62.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-0.72		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	[848.00; 848.00]
Inp	848.00		NIST
Inp	848.00		NIST
Ip	[1373.00; 1408.00]
Ip	1408.00		NIST
Ip	1373.00		NIST
Ip	1373.00		NIST
Tboil	437.36	K	Relay (1.0) Calculated Property
Tc	627.48	K	Relay (1.0) Calculated Property
Tfus	207.27	K	Relay (1.0) Calculated Property
Vc	0.340	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.26; 316.96]	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			-1.14570e+01
Coefficient B			6.27820e-01
Coefficient C			-4.16800e-04
Coefficient D			1.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.26	J/mol×K	273.00	Calculated Property
Cp,gas	163.68	J/mol×K	353.78	Calculated Property
Cp,gas	192.29	J/mol×K	434.56	Calculated Property
Cp,gas	217.46	J/mol×K	515.33	Calculated Property
Cp,gas	239.55	J/mol×K	596.11	Calculated Property
Cp,gas	258.95	J/mol×K	676.89	Calculated Property
Cp,gas	276.02	J/mol×K	757.67	Calculated Property
Cp,gas	291.13	J/mol×K	838.44	Calculated Property
Cp,gas	304.65	J/mol×K	919.22	Calculated Property
Cp,gas	316.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0918576; 0.0002362]	Pa×s	[213.12; 421.43]	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			-1.44522e+01
Coefficient B			2.57123e+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.			213.12
Temperature range, max.			421.43
η	0.0918576	Pa×s	213.12	Calculated Property
η	0.0281724	Pa×s	236.27	Calculated Property
η	0.0106691	Pa×s	259.41	Calculated Property
η	0.0047371	Pa×s	282.56	Calculated Property
η	0.0023785	Pa×s	305.70	Calculated Property
η	0.0013158	Pa×s	328.85	Calculated Property
η	0.0007869	Pa×s	351.99	Calculated Property
η	0.0005014	Pa×s	375.14	Calculated Property
η	0.0003367	Pa×s	398.28	Calculated Property
η	0.0002362	Pa×s	421.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[330.12; 447.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67821e+01
Coefficient B			-4.43195e+03
Coefficient C			-6.14270e+01
Temperature range, min.			330.12
Temperature range, max.			447.80
Pvap	1.33	kPa	330.12	Calculated Property
Pvap	2.87	kPa	343.20	Calculated Property
Pvap	5.76	kPa	356.27	Calculated Property
Pvap	10.90	kPa	369.35	Calculated Property
Pvap	19.59	kPa	382.42	Calculated Property
Pvap	33.63	kPa	395.50	Calculated Property
Pvap	55.44	kPa	408.57	Calculated Property
Pvap	88.12	kPa	421.65	Calculated Property
Pvap	135.59	kPa	434.72	Calculated Property
Pvap	202.63	kPa	447.80	Calculated Property

Similar Compounds

Find more compounds similar to 4-Hexen-1-ol.

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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