Chemical Properties of (S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate

(S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate

InChI
InChI=1S/C8H9F7O4/c9-6(10,7(11,12)8(13,14)15)5(18)19-2-1-4(17)3-16/h4,16-17H,1-3H2
InChI Key
YPWNLKMJLQCLLR-UHFFFAOYSA-N
Formula
C8H9F7O4
SMILES
O=C(OCCC(O)CO)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
302.14
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Physical Properties

Property Value Unit Source
ΔfusH° 24.82 kJ/mol Joback Calculated Property
logPoct/wat 1.106 Crippen Calculated Property
McVol 155.150 ml/mol McGowan Calculated Property
Inp [1066.00; 1066.00]   Show Hide
Inp 1066.00 NIST
Inp 1066.00 NIST
Tboil 487.39 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [269.23; 531.94] 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-8.57000e-01
Coefficient B1.24290e+00
Coefficient C-1.01100e-03
Coefficient D3.00900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 269.23 J/mol×K 273.00 Calculated Property
Cp,gas 325.64 J/mol×K 353.78 Calculated Property
Cp,gas 373.03 J/mol×K 434.56 Calculated Property
Cp,gas 412.34 J/mol×K 515.33 Calculated Property
Cp,gas 444.53 J/mol×K 596.11 Calculated Property
Cp,gas 470.55 J/mol×K 676.89 Calculated Property
Cp,gas 491.35 J/mol×K 757.67 Calculated Property
Cp,gas 507.88 J/mol×K 838.44 Calculated Property
Cp,gas 521.09 J/mol×K 919.22 Calculated Property
Cp,gas 531.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

(S)-(-)-1,2,4-Butanetriol, 4-pentafluoropropionate. (S)-(-)-1,2,4-Butanetriol, 2,4-di(heptafluorobutyrate). (S)-(-)-1,2,4-Butanetriol, 4-trifluoroacetate. (S)-(-)-1,2,4-Butanetriol, 2,4-di(pentafluoropropionate). (S)-(-)-1,2,4-Butanetriol, 4-acetate. Butyric acid, heptafluoro-, butyl ester. 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid butyl ester. Butyl perfluorohexanoate. 5-Hexen-1-ol, heptafluorobutyrate. Heptafluorobutyric acid, n-pentyl ester. Butyl perfluoroheptanoate. Heptadecafluorononanoic acid, butyl ester. Pentadecafluorooctanoic acid, butyl ester. 2-Methyl-1,4-butanediol, bis(heptafluorobutyrate). 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid pentyl ester.

Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate.

Sources

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