Chemical Properties of 3-Octen-2-one (CAS 1669-44-9)

InChI

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

InChI Key

ZCFOBLITZWHNNC-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CCCCC=CC(C)=O

Molecular Weight¹

126.20

CAS

1669-44-9

Other Names

• 3-Oct-3-en-2-one
• oct-3-en-2-one

• 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).
• 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_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
ΔfG°	-32.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.81	kJ/mol	Joback Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	40.11	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen 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	[1011.00; 1053.00]
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	1035.00		NIST
Inp	1019.00		NIST
Inp	1020.00		NIST
Inp	1026.00		NIST
Inp	1046.00		NIST
Inp	1053.00		NIST
Inp	1015.00		NIST
Inp	1014.00		NIST
Inp	1043.00		NIST
Inp	1040.00		NIST
Inp	1040.00		NIST
Inp	1048.00		NIST
Inp	1037.00		NIST
Inp	1013.00		NIST
Inp	1023.00		NIST
Inp	1043.00		NIST
Inp	1038.00		NIST
Inp	1016.00		NIST
Inp	1011.00		NIST
Inp	1015.00		NIST
Inp	1018.00		NIST
Inp	1036.00		NIST
Inp	1042.00		NIST
Inp	1040.00		NIST
Inp	1040.00		NIST
Inp	1042.00		NIST
Inp	1037.00		NIST
Inp	1014.00		NIST
Inp	1036.00		NIST
Inp	1016.00		NIST
Inp	1043.00		NIST
I	[1363.00; 1440.00]
I	1408.00		NIST
I	1415.00		NIST
I	1408.00		NIST
I	1411.00		NIST
I	1411.00		NIST
I	1411.00		NIST
I	Outlier 1440.00		NIST
I	1412.00		NIST
I	1412.00		NIST
I	1408.00		NIST
I	1414.00		NIST
I	1408.00		NIST
I	1429.00		NIST
I	1410.00		NIST
I	Outlier 1363.00		NIST
I	1416.00		NIST
I	1390.00		NIST
I	1388.00		NIST
I	1416.00		NIST
I	1416.00		NIST
I	1416.00		NIST
I	1415.00		NIST
I	1416.00		NIST
Tboil	440.47	K	Joback Calculated Property
Tc	624.44	K	Joback Calculated Property
Tfus	224.77	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[329.66; 497.19]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32660e+01
Coefficient B			-3.44271e+03
Coefficient C			-6.43930e+01
Temperature range, min.			329.66
Temperature range, max.			497.19
Pvap	1.33	kPa	329.66	Calculated Property
Pvap	3.12	kPa	348.27	Calculated Property
Pvap	6.59	kPa	366.89	Calculated Property
Pvap	12.74	kPa	385.50	Calculated Property
Pvap	22.92	kPa	404.12	Calculated Property
Pvap	38.81	kPa	422.73	Calculated Property
Pvap	62.37	kPa	441.35	Calculated Property
Pvap	95.85	kPa	459.96	Calculated Property
Pvap	141.74	kPa	478.58	Calculated Property
Pvap	202.65	kPa	497.19	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octen-2-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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