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

(R)-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-MFKMUULPSA-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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 37.47 kJ/mol Joback Calculated Property
logPoct/wat 3.759 Crippen Calculated Property
McVol 273.660 ml/mol McGowan Calculated Property
Inp [1696.00; 1696.00]   Show Hide
Inp 1696.00 NIST
Inp 1696.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [853.23; 908.60] J/mol×K [859.61; 1058.10] Show Hide
Cp,gas 853.23 J/mol×K 859.61 Joback Calculated Property
Cp,gas 864.94 J/mol×K 892.69 Joback Calculated Property
Cp,gas 875.60 J/mol×K 925.77 Joback Calculated Property
Cp,gas 885.26 J/mol×K 958.85 Joback Calculated Property
Cp,gas 893.95 J/mol×K 991.94 Joback Calculated Property
Cp,gas 901.72 J/mol×K 1025.02 Joback Calculated Property
Cp,gas 908.60 J/mol×K 1058.10 Joback Calculated Property

Similar Compounds

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.