Chemical Properties of Methyl salicylate, Rut, TFA

Methyl salicylate, Rut, TFA

InChI
InChI=1S/C32H22F18O18/c1-8-12(63-21(52)27(33,34)35)14(65-23(54)29(39,40)41)16(67-25(56)31(45,46)47)19(60-8)59-7-11-13(64-22(53)28(36,37)38)15(66-24(55)30(42,43)44)17(68-26(57)32(48,49)50)20(62-11)61-10-6-4-3-5-9(10)18(51)58-2/h3-6,8,11-17,19-20H,7H2,1-2H3/t8-,11?,12-,13+,14+,15-,16+,17-,19+,20+/m1/s1
InChI Key
GRVDKAYNFVDHBS-UNENLGJYSA-N
Formula
C32H22F18O18
SMILES
COC(=O)c1ccccc1OC1OC(COC2OC(C)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
1036.48
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Physical Properties

Property Value Unit Source
ΔfusH° 124.40 kJ/mol Joback Calculated Property
log10WS -8.56 Relay (1.0) Calculated Property
logPoct/wat 4.183 Crippen Calculated Property
McVol 523.680 ml/mol McGowan Calculated Property
Inp [2224.00; 2234.00]   Show Hide
Inp 2224.00 NIST
Inp 2234.00 NIST
Inp 2224.00 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 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 [711.33; 1721.67] J/mol×K [1438.92; 2134.90] Show Hide
Cp,gas 1721.67 J/mol×K 1438.92 Joback Calculated Property
Cp,gas 1616.90 J/mol×K 1554.92 Joback Calculated Property
Cp,gas 1484.57 J/mol×K 1670.91 Joback Calculated Property
Cp,gas 1326.26 J/mol×K 1786.91 Joback Calculated Property
Cp,gas 1143.56 J/mol×K 1902.91 Joback Calculated Property
Cp,gas 938.06 J/mol×K 2018.91 Joback Calculated Property
Cp,gas 711.33 J/mol×K 2134.90 Joback Calculated Property

Similar Compounds

Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 1, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 2, TFA. Methyl salicylate, Gly, TFA. Monotropitoside. N-Acetylnornarcotine. Hydrastine. Noscapine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Butorphanol di-TMS derivative. cis-1,2-Tetralinediol, ferrocenylboronate. Nalmefene, trimethylsilyl ether. Norcodeine. Neopine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to Methyl salicylate, Rut, TFA.

Sources

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