Chemical Properties of 3-Octen-2-one, (E)-

InChI

InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6-

InChI Key

ZCFOBLITZWHNNC-VOTSOKGWSA-N

Formula

C8H14O

SMILES

CCCC/C=C/C(C)=O

Molecular Weight¹

126.20

Other Names

• trans-3-Octen-2-one
• E-3-Octen-2-one
• (E)-Oct-3-en-2-one
• 3(E),3-Octen-2-one

• 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	0.4135		Relay (1.0) Calculated Property
ΔfG°	-32.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	52.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	2856.62	kPa	Joback Calculated Property
Inp	[1031.00; 1040.00]
Inp	1032.00		NIST
Inp	1031.00		NIST
Inp	1034.00		NIST
Inp	1040.00		NIST
Inp	1036.00		NIST
Inp	1040.00		NIST
I	[1392.00; 1411.00]
I	1411.00		NIST
I	1396.00		NIST
I	1392.00		NIST
I	1411.00		NIST
I	1396.00		NIST
Tboil	448.28	K	Relay (1.0) Calculated Property
Tc	640.39	K	Relay (1.0) Calculated Property
Tfus	223.14	K	Relay (1.0) Calculated Property
Vc	0.450	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.73; 304.76]	J/mol×K	[440.47; 624.44]
Cp,gas	239.73	J/mol×K	440.47	Joback Calculated Property
Cp,gas	251.92	J/mol×K	471.13	Joback Calculated Property
Cp,gas	263.55	J/mol×K	501.79	Joback Calculated Property
Cp,gas	274.62	J/mol×K	532.46	Joback Calculated Property
Cp,gas	285.17	J/mol×K	563.12	Joback Calculated Property
Cp,gas	295.21	J/mol×K	593.78	Joback Calculated Property
Cp,gas	304.76	J/mol×K	624.44	Joback Calculated Property
η	[0.0002453; 0.0040418]	Pa×s	[224.77; 440.47]
η	0.0040418	Pa×s	224.77	Joback Calculated Property
η	0.0018362	Pa×s	260.72	Joback Calculated Property
η	0.0010100	Pa×s	296.67	Joback Calculated Property
η	0.0006321	Pa×s	332.62	Joback Calculated Property
η	0.0004335	Pa×s	368.57	Joback Calculated Property
η	0.0003179	Pa×s	404.52	Joback Calculated Property
η	0.0002453	Pa×s	440.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Octen-2-one, (E)-.

Sources

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

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