Chemical Properties of (S)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA

(S)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA

InChI
InChI=1S/C18H18F6O6/c1-9(2)10(3)28-14(25)13(30-16(27)18(22,23)24)8-11-4-6-12(7-5-11)29-15(26)17(19,20)21/h4-7,9-10,13H,8H2,1-3H3/t10-,13-/m1/s1
InChI Key
AGEHXNBDEXTKSW-ZWNOBZJWSA-N
Formula
C18H18F6O6
SMILES
CC(C)C(C)OC(=O)C(Cc1ccc(OC(=O)C(F)(F)F)cc1)OC(=O)C(F)(F)F
Molecular Weight1
444.32
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Physical Properties

Property Value Unit Source
Δfus 42.22 kJ/mol Joback Calculated Property
logPoct/wat 3.759 Crippen Calculated Property
McVol 273.660 ml/mol McGowan Calculated Property
Inp [1704.00; 1704.00]   Show Hide
Inp 1704.00 NIST
Inp 1704.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [839.60; 896.76] J/mol×K [805.60; 995.38] Show Hide
Cp,gas 839.60 J/mol×K 805.60 Joback Calculated Property
Cp,gas 851.82 J/mol×K 837.23 Joback Calculated Property
Cp,gas 862.91 J/mol×K 868.86 Joback Calculated Property
Cp,gas 872.91 J/mol×K 900.49 Joback Calculated Property
Cp,gas 881.86 J/mol×K 932.12 Joback Calculated Property
Cp,gas 889.79 J/mol×K 963.75 Joback Calculated Property
Cp,gas 896.76 J/mol×K 995.38 Joback Calculated Property

Similar Compounds

(R)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA. p-Hydroxyphenyllactic acid, TFA-ME. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. 1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-HFB. 1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-PFP. 1,3,5(10)-Oestratriene-3,17«alpha»-diol, 3-TBDMS-17-PFP. 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TBDMS-17-HFB. 5-Hydroxytryptophan, methyl, 3-PFP. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-PFP. Anthracene, 1,2-dihydro-trans-1,2-diol, DTBS. Estradiol dipropionate. Estradiol dipropionate. 3'-(3-Methoxy-1,3,5(10)-estratrien-16beta-yl)propiono-1',17beta-lactone. 3-Methoxy-17alpha-oxa-d-homoestra-1,3,5(10)-trien-17-one. risperidone.

Find more compounds similar to (S)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA.

Sources

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