Chemical Properties of 3-Hexen-1-ol, acetate (CAS 1708-82-3)

InChI

InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3

InChI Key

NPFVOOAXDOBMCE-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCC=CCCOC(C)=O

Molecular Weight¹

142.20

CAS

1708-82-3

Other Names

• hex-3-en-1-yl acetate
• hex-3-enyl acetate
• 3-Hexenyl 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).
• 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	0.4155		Relay (1.0) Calculated Property
ΔfG°	-213.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-461.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.05	kJ/mol	Joback Calculated Property
ΔvapH°	53.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[972.00; 1011.00]
Inp	988.00		NIST
Inp	988.00		NIST
Inp	1004.00		NIST
Inp	987.00		NIST
Inp	1009.00		NIST
Inp	990.00		NIST
Inp	1004.00		NIST
Inp	1005.00		NIST
Inp	1011.00		NIST
Inp	Outlier 972.00		NIST
Inp	1002.00		NIST
Inp	988.74		NIST
Inp	1011.00		NIST
Inp	1011.00		NIST
Inp	1004.00		NIST
Ip	[1276.00; 1337.00]
Ip	1300.00		NIST
Ip	1300.00		NIST
Ip	1321.00		NIST
Ip	1276.00		NIST
Ip	1304.00		NIST
Ip	1280.00		NIST
Ip	1314.00		NIST
Ip	1313.00		NIST
Ip	1315.00		NIST
Ip	1337.00		NIST
Ip	1337.00		NIST
Ip	1314.00		NIST
Ip	1300.00		NIST
Ip	1280.00		NIST
Tboil	436.78	K	Relay (1.0) Calculated Property
Tc	617.05	K	Relay (1.0) Calculated Property
Tfus	192.96	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.53; 409.58]	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			6.84300e+00
Coefficient B			7.29040e-01
Coefficient C			-4.00600e-04
Coefficient D			7.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.53	J/mol×K	273.00	Calculated Property
Cp,gas	217.91	J/mol×K	353.78	Calculated Property
Cp,gas	254.10	J/mol×K	434.56	Calculated Property
Cp,gas	286.32	J/mol×K	515.33	Calculated Property
Cp,gas	314.82	J/mol×K	596.11	Calculated Property
Cp,gas	339.82	J/mol×K	676.89	Calculated Property
Cp,gas	361.56	J/mol×K	757.67	Calculated Property
Cp,gas	380.28	J/mol×K	838.44	Calculated Property
Cp,gas	396.21	J/mol×K	919.22	Calculated Property
Cp,gas	409.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058194; 0.0002114]	Pa×s	[217.17; 437.50]	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			-1.17298e+01
Coefficient B			1.42968e+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.			217.17
Temperature range, max.			437.50
η	0.0058194	Pa×s	217.17	Calculated Property
η	0.0029870	Pa×s	241.65	Calculated Property
η	0.0017333	Pa×s	266.13	Calculated Property
η	0.0011024	Pa×s	290.61	Calculated Property
η	0.0007522	Pa×s	315.10	Calculated Property
η	0.0005423	Pa×s	339.58	Calculated Property
η	0.0004086	Pa×s	364.06	Calculated Property
η	0.0003190	Pa×s	388.54	Calculated Property
η	0.0002565	Pa×s	413.02	Calculated Property
η	0.0002114	Pa×s	437.50	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexen-1-ol, acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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