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

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

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H8F14O5/c13-7(14,9(17,18)11(21,22)23)5(28)30-2-1-4(3-27)31-6(29)8(15,16)10(19,20)12(24,25)26/h4,27H,1-3H2
InChI Key
NBPSKUASTBFLKL-UHFFFAOYSA-N
Formula
C12H8F14O5
SMILES
O=C(OCCC(CO)OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
498.17
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Physical Properties

Property Value Unit Source
Δf -3267.24 kJ/mol Joback Calculated Property
Δfgas -3736.16 kJ/mol Joback Calculated Property
Δfus 31.61 kJ/mol Joback Calculated Property
Δvap 57.69 kJ/mol Joback Calculated Property
log10WS -4.53 Crippen Calculated Property
logPoct/wat 3.490 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Pc 1377.86 kPa Joback Calculated Property
Inp 1132.00 NIST
Tboil 688.68 K Joback Calculated Property
Tc 844.07 K Joback Calculated Property
Tfus 437.92 K Joback Calculated Property
Vc 0.955 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [704.72; 750.74] J/mol×K [688.68; 844.07] Show Hide
Cp,gas 704.72 J/mol×K 688.68 Joback Calculated Property
Cp,gas 714.03 J/mol×K 714.58 Joback Calculated Property
Cp,gas 722.61 J/mol×K 740.48 Joback Calculated Property
Cp,gas 730.52 J/mol×K 766.38 Joback Calculated Property
Cp,gas 737.80 J/mol×K 792.28 Joback Calculated Property
Cp,gas 744.53 J/mol×K 818.17 Joback Calculated Property
Cp,gas 750.74 J/mol×K 844.07 Joback Calculated Property

Similar Compounds

(S)-(-)-1,2,4-Butanetriol, 2,4-di(pentafluoropropionate). (S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate. (S)-(-)-1,2,4-Butanetriol, 2,4-di(trifluoroacetate). (S)-(-)-1,2,4-Butanetriol, 2,4-di(acetate). (S)-(-)-1,2,4-Butanetriol, 4-pentafluoropropionate. 2-Methyl-3-hexanol, heptafluorobutyrate. 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, chlorodifluoroacetate. 1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-xylo-hex-5-enitol. (S)-(-)-1,2,4-Butanetriol, 2-acetate. Heptafluorobutyric acid, 2-pentyl ester. Butyl glucuronide, PFP. 3-Hexanol, heptafluorobutyrate. «alpha»-Hydroxypentacosanoic acid, HFB-Me. «alpha»-Hydroxylignoceric acid, HFB-Me. «alpha»-Hydroxycerotic acid, HFB-Me.

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

Sources

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