Chemical Properties of 1-Methoxy-3-methylene-2-pentanone (CAS 55956-45-1)

InChI

InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3

InChI Key

PEPJPZZZBHWOCM-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=C(CC)C(=O)COC

Molecular Weight¹

128.17

CAS

55956-45-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.08	kJ/mol	Joback Calculated Property
ΔvapH°	47.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-0.66		Relay (1.0) Calculated Property
logPoct/wat	1.168		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3096.73	kPa	Joback Calculated Property
I	[1225.00; 1225.00]
I	1225.00		NIST
I	1225.00		NIST
Tboil	419.66	K	Relay (1.0) Calculated Property
Tfus	249.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.87; 280.80]	J/mol×K	[432.61; 616.18]
Cp,gas	222.87	J/mol×K	432.61	Joback Calculated Property
Cp,gas	233.51	J/mol×K	463.20	Joback Calculated Property
Cp,gas	243.75	J/mol×K	493.80	Joback Calculated Property
Cp,gas	253.60	J/mol×K	524.39	Joback Calculated Property
Cp,gas	263.05	J/mol×K	554.99	Joback Calculated Property
Cp,gas	272.12	J/mol×K	585.58	Joback Calculated Property
Cp,gas	280.80	J/mol×K	616.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methoxy-3-methylene-2-pentanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
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