Chemical Properties of 2(5H)-Furanone, 5-methyl- (CAS 591-11-7)

2(5H)-Furanone, 5-methyl-

InChI
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChI Key
BGLUXFNVVSVEET-UHFFFAOYSA-N
Formula
C5H6O2
SMILES
CC1C=CC(=O)O1
Molecular Weight1
98.10
CAS
591-11-7
Other Names
  • «beta»-Angelica lactone
  • «alpha»,«beta»-Angelica lactone
  • «DELTA»1-Angelica lactone
  • «gamma»-Methyl-«delta»,«alpha»,«beta»-butenolide
  • 2-Penten-4-olide
  • 2-Pentenoic acid, 4-hydroxy-, «gamma»-lactone
  • 4-Hydroxy-2-pentenoic acid «gamma»-lactone
  • 5-Methyl-2(5H)-furanone
  • «gamma»-Methyl-«alpha»,«beta»-crotonolactone
  • 4-Hydroxypent-2-enoic acid lactone
  • 5-Methyl-5H-furan-2-one
  • 4-Methyl-2-buten-4-olide
  • NSC 655
  • 4-methyl-2-butenoic acid «gamma»-lactone
  • 5-Methyl-2(5H)-furanone («beta»-angelica lactone)
  • Pent-2-en-4-olide
  • 5-methylfuran-2(5H)-one
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 12.43 kJ/mol Joback Calculated Property
IE 10.12 ± 0.05 eV NIST
logPoct/wat 0.488 Crippen Calculated Property
McVol 73.590 ml/mol McGowan Calculated Property
Inp [914.00; 954.00]   Show Hide
Inp 914.00 NIST
Inp 917.00 NIST
Inp 938.00 NIST
Inp 934.00 NIST
Inp 934.00 NIST
Inp 954.00 NIST
Inp 946.00 NIST
Inp 951.00 NIST
Inp 934.00 NIST
Inp 951.00 NIST
Inp 938.00 NIST
I [1635.00; 1673.00]   Show Hide
I 1635.00 NIST
I 1642.00 NIST
I 1658.00 NIST
I 1669.00 NIST
I 1669.00 NIST
I 1669.00 NIST
I 1664.00 NIST
I 1673.00 NIST
I 1669.00 NIST
I 1635.00 NIST
I 1658.00 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, 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 [131.00; 177.30] J/mol×K [378.12; 569.99] Show Hide
Cp,gas 131.00 J/mol×K 378.12 Joback Calculated Property
Cp,gas 139.90 J/mol×K 410.10 Joback Calculated Property
Cp,gas 148.31 J/mol×K 442.08 Joback Calculated Property
Cp,gas 156.23 J/mol×K 474.06 Joback Calculated Property
Cp,gas 163.69 J/mol×K 506.03 Joback Calculated Property
Cp,gas 170.71 J/mol×K 538.01 Joback Calculated Property
Cp,gas 177.30 J/mol×K 569.99 Joback Calculated Property
η [0.0003441; 0.0011667] Pa×s [207.14; 378.12] Show Hide
η 0.0011667 Pa×s 207.14 Joback Calculated Property
η 0.0008416 Pa×s 235.64 Joback Calculated Property
η 0.0006515 Pa×s 264.13 Joback Calculated Property
η 0.0005301 Pa×s 292.63 Joback Calculated Property
η 0.0004474 Pa×s 321.13 Joback Calculated Property
η 0.0003882 Pa×s 349.62 Joback Calculated Property
η 0.0003441 Pa×s 378.12 Joback Calculated Property
ΔvapH 48.20 kJ/mol 418.50 NIST

Similar Compounds

(S)-5-Hydroxymethyl-2[5H]-furanone. 2(5H)-Furanone, 5-ethyl-. 1-METHYLALLYL ACETATE. 2-Heptenoic acid, oct-3-en-2-yl ester. 2-Furanone, 2,5-dihydro-3,5-dimethyl. 2(5H)-Furanone, 5,5-dimethyl-. 2(5H)-FURANONE, 5-(1-METHYLETHYL)-. 2,5-Dimethyl-4-hydroxy-2(5H)-furanone. 3-Methyl-2-butenoic acid, oct-3-en-2-yl ester. 5-Butyl-2(5H)-furanone. 3-Buten-2-ol, trifluoroacetate. ETHYL TRANS-2-PENTENOATE. (Z)-2-Pentenoic acid ethyl ester. 2-nonenoic acid «gamma»-lactone. .gamma.-2-dodecenolactone.

Find more compounds similar to 2(5H)-Furanone, 5-methyl-.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.