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/h5-6H,3-4,7H2,1-2H3

InChI Key

HRHOWZHRCRZVCU-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCC=CCOC(C)=O

Molecular Weight¹

142.20

CAS

1708-82-3

Other Names

• hex-3-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).
• 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°	-213.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.05	kJ/mol	Joback Calculated Property
ΔvapH°	52.27	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	2687.42	kPa	Joback Calculated Property
Inp	[972.00; 1011.00]
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
I	[1313.00; 1337.00]
I	1314.00		NIST
I	1313.00		NIST
I	1315.00		NIST
I	1337.00		NIST
I	1337.00		NIST
I	1314.00		NIST
Tboil	435.11	K	Relay (1.0) Calculated Property
Tc	613.70	K	Relay (1.0) Calculated Property
Tfus	186.04	K	Relay (1.0) Calculated Property
Vc	0.469	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
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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