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_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).
• 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°	-170.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-338.65	kJ/mol	Joback Calculated Property
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
ΔvapH°	37.58	kJ/mol	Joback Calculated Property
log10WS	-0.40		Crippen Calculated Property
logPoct/wat	0.363		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4178.49	kPa	Joback Calculated Property
I	[1263.00; 1263.00]
I	1263.00		NIST
I	1263.00		NIST
Tboil	396.69	K	Joback Calculated Property
Tc	591.36	K	Joback Calculated Property
Tfus	236.31	K	Joback Calculated Property
Vc	0.298	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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