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
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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

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 48.20 kJ/mol 418.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [97.97; 233.83] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.87100e+01
Coefficient B5.18920e-01
Coefficient C-3.61080e-04
Coefficient D9.47000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 97.97 J/mol×K 273.00 Calculated Property
Cp,gas 123.87 J/mol×K 353.78 Calculated Property
Cp,gas 146.37 J/mol×K 434.56 Calculated Property
Cp,gas 165.78 J/mol×K 515.33 Calculated Property
Cp,gas 182.37 J/mol×K 596.11 Calculated Property
Cp,gas 196.47 J/mol×K 676.89 Calculated Property
Cp,gas 208.37 J/mol×K 757.67 Calculated Property
Cp,gas 218.36 J/mol×K 838.44 Calculated Property
Cp,gas 226.75 J/mol×K 919.22 Calculated Property
Cp,gas 233.83 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0011667; 0.0003184] Pa×s [207.14; 398.99] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-9.45400e+00
Coefficient B5.59360e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.207.14
Temperature range, max.398.99
η 0.0011667 Pa×s 207.14 Calculated Property
η 0.0009068 Pa×s 228.46 Calculated Property
η 0.0007358 Pa×s 249.77 Calculated Property
η 0.0006170 Pa×s 271.09 Calculated Property
η 0.0005308 Pa×s 292.41 Calculated Property
η 0.0004661 Pa×s 313.73 Calculated Property
η 0.0004161 Pa×s 335.04 Calculated Property
η 0.0003766 Pa×s 356.36 Calculated Property
η 0.0003447 Pa×s 377.68 Calculated Property
η 0.0003184 Pa×s 398.99 Calculated Property

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

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