Chemical Properties of Butonate (CAS 126-22-7)

Butonate

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InChI
InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3
InChI Key
BKAQXYNWONVOAX-UHFFFAOYSA-N
Formula
C8H14Cl3O5P
SMILES
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
Molecular Weight1
327.53
CAS
126-22-7
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Physical Properties

Property Value Unit Source
ω 0.5624 Relay (... Calculated Property
ΔfG° -577.10 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -1029.81 kJ/mol Relay (... Calculated Property
ΔvapH° 81.80 kJ/mol Relay (... Calculated Property
IE 10.30 eV NIST
log10WS -2.75 Relay (... Calculated Property
logPoct/wat 3.512 Crippen Calculated Property
McVol 205.810 ml/mol McGowan Calculated Property
Pc 1949.70 kPa Relay (... Calculated Property ⚠️
Tboil 575.65 K Relay (... Calculated Property
Tc 741.26 K Relay (... Calculated Property
Tfus 299.56 K Relay (... Calculated Property
Vc 0.734 m3/kmol Relay (... Calculated Property

Similar Compounds

[(1R,8R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-4-hydroxy-3-methyl-but-2-enoate. 13-(2-Methylbutyryl)oxylupanine. 13-(2-Methylbutanoyloxy)lupanine. 4'-Hydroxystanozolol (5A-Androstan-17A-methyl-4',17B-diol-3,2c-pyrazol), TMS. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS. 13-trans-Cinnamoyloxylupanine. 13-cis-Cinnamoyloxylupanine. 13-Trans-cinnamoyloxylupanine. 13-Cis-cinnamoyloxylupanine. 9-curassavoylheliotridine. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. Acebutolol, N-ethoxycarbonylated, TMS. 13-Isobutyryloxylupanine. 4-Hydroxyoestrone (enol), TMS. Quinapril Me.

Find more compounds similar to Butonate.

Sources

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