Chemical Properties of 1-Hexen-3-one (CAS 1629-60-3)

InChI

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3

InChI Key

JTHNLKXLWOXOQK-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=CC(=O)CCC

Molecular Weight¹

98.14

CAS

1629-60-3

Other Names

• Propyl vinyl ketone
• Vinyl propyl ketone
• hex-1-en-3-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	0.3800		Relay (... Calculated Property
ΔfG°	-41.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.62	kJ/mol	Joback Calculated Property
ΔvapH°	37.55	kJ/mol	Relay (... Calculated Property
IE	9.39	eV	Relay (... Calculated Property
log10WS	-0.83		Aq. Sol...
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[747.00; 790.00]
Inp	763.00		NIST
Inp	790.00		NIST
Inp	Outlier 747.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	775.00		NIST
Inp	784.00		NIST
Inp	770.00		NIST
Inp	769.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	776.00		NIST
Inp	774.00		NIST
Inp	784.00		NIST
Inp	Outlier 747.00		NIST
Inp	Outlier 747.00		NIST
Inp	775.00		NIST
Inp	774.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	770.00		NIST
Inp	763.00		NIST
I	[1081.00; 1120.00]
I	1087.00		NIST
I	1095.00		NIST
I	1099.00		NIST
I	1093.00		NIST
I	1091.00		NIST
I	1096.00		NIST
I	1096.00		NIST
I	1100.00		NIST
I	1081.00		NIST
I	1081.00		NIST
I	1096.00		NIST
I	1106.00		NIST
I	1086.00		NIST
I	1091.00		NIST
I	1086.00		NIST
I	1101.00		NIST
I	1101.00		NIST
I	1092.00		NIST
I	1103.00		NIST
I	Outlier 1120.00		NIST
I	1087.00		NIST
I	1096.00		NIST
Tboil	366.45	K	Relay (... Calculated Property
Tc	576.18	K	Relay (... Calculated Property
Tfus	203.24	K	Relay (... Calculated Property
Vc	0.342	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.39; 214.18]	J/mol×K	[387.23; 568.55]
Cp,gas	163.39	J/mol×K	387.23	Joback Calculated Property
Cp,gas	172.83	J/mol×K	417.45	Joback Calculated Property
Cp,gas	181.86	J/mol×K	447.67	Joback Calculated Property
Cp,gas	190.50	J/mol×K	477.89	Joback Calculated Property
Cp,gas	198.76	J/mol×K	508.11	Joback Calculated Property
Cp,gas	206.65	J/mol×K	538.33	Joback Calculated Property
Cp,gas	214.18	J/mol×K	568.55	Joback Calculated Property
η	[0.0002930; 0.0032665]	Pa×s	[205.55; 387.23]
η	0.0032665	Pa×s	205.55	Joback Calculated Property
η	0.0016885	Pa×s	235.83	Joback Calculated Property
η	0.0010142	Pa×s	266.11	Joback Calculated Property
η	0.0006761	Pa×s	296.39	Joback Calculated Property
η	0.0004858	Pa×s	326.67	Joback Calculated Property
η	0.0003693	Pa×s	356.95	Joback Calculated Property
η	0.0002930	Pa×s	387.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexen-3-one.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.