Chemical Properties of Ethanone, 1-(3-methyloxiranyl)- (CAS 17257-79-3)

InChI

InChI=1S/C5H8O2/c1-3(6)5-4(2)7-5/h4-5H,1-2H3

InChI Key

IAHUKWSQLBRAIN-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC(=O)C1OC1C

Molecular Weight¹

100.12

CAS

17257-79-3

Other Names

• 2-Pentanone, 3,4-epoxy-
• 3,4-Epoxy-2-pentanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
logPoct/wat	0.363		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
I	[1263.00; 1263.00]
I	1263.00		NIST
I	1263.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[152.21; 205.12]	J/mol×K	[396.69; 591.36]
Cp,gas	152.21	J/mol×K	396.69	Joback Calculated Property
Cp,gas	162.27	J/mol×K	429.14	Joback Calculated Property
Cp,gas	171.81	J/mol×K	461.58	Joback Calculated Property
Cp,gas	180.84	J/mol×K	494.03	Joback Calculated Property
Cp,gas	189.39	J/mol×K	526.47	Joback Calculated Property
Cp,gas	197.47	J/mol×K	558.92	Joback Calculated Property
Cp,gas	205.12	J/mol×K	591.36	Joback Calculated Property
η	[0.0005017; 0.0011617]	Pa×s	[236.31; 396.69]
η	0.0011617	Pa×s	236.31	Joback Calculated Property
η	0.0009407	Pa×s	263.04	Joback Calculated Property
η	0.0007920	Pa×s	289.77	Joback Calculated Property
η	0.0006864	Pa×s	316.50	Joback Calculated Property
η	0.0006083	Pa×s	343.23	Joback Calculated Property
η	0.0005486	Pa×s	369.96	Joback Calculated Property
η	0.0005017	Pa×s	396.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(3-methyloxiranyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.