Chemical Properties of (-)-Car-3-en-2-one (CAS 53585-45-8)

InChI

InChI=1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-8H,5H2,1-3H3

InChI Key

SAFIHMIEMQFPDA-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CC1=CCC2C(C1=O)C2(C)C

Molecular Weight¹

150.22

CAS

53585-45-8

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.3246		Relay (1.0) Calculated Property
ΔfG°	27.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.94	kJ/mol	Joback Calculated Property
ΔvapH°	58.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-2.52		Relay (1.0) Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	127.310	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[1254.30; 1300.00]
Inp	1254.30		NIST
Inp	1254.30		NIST
Inp	1300.00		NIST
I	1881.00		NIST
Tboil	469.33	K	Relay (1.0) Calculated Property
Tc	715.82	K	Relay (1.0) Calculated Property
Tfus	335.74	K	Relay (1.0) Calculated Property
Vc	0.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.39; 393.70]	J/mol×K	[513.48; 740.08]
Cp,gas	307.39	J/mol×K	513.48	Joback Calculated Property
Cp,gas	324.08	J/mol×K	551.25	Joback Calculated Property
Cp,gas	339.67	J/mol×K	589.01	Joback Calculated Property
Cp,gas	354.29	J/mol×K	626.78	Joback Calculated Property
Cp,gas	368.08	J/mol×K	664.55	Joback Calculated Property
Cp,gas	381.17	J/mol×K	702.31	Joback Calculated Property
Cp,gas	393.70	J/mol×K	740.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-Car-3-en-2-one.

Sources

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

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