Chemical Properties of Mandelonitrile, rhamnoglucoside (isomer # 1), TFA

Mandelonitrile, rhamnoglucoside (isomer # 1), TFA

InChI
InChI=1S/C33H18F21NO18/c34-27(35,36)20(56)66-11-10(65-18(64-9(6-55)8-4-2-1-3-5-8)15(70-24(60)31(46,47)48)12(11)67-21(57)28(37,38)39)7-63-17-14(69-23(59)30(43,44)45)13(68-22(58)29(40,41)42)16(71-25(61)32(49,50)51)19(72-17)73-26(62)33(52,53)54/h1-5,9-19H,7H2/t9?,10?,11-,12?,13?,14?,15?,16-,17-,18-,19?/m0/s1
InChI Key
JFWICXYVYOLOOE-FYASSNCYSA-N
Formula
C33H18F21NO18
SMILES
N#CC(OC1OC(COC2OC(OC(=O)C(F)(F)F)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)c1ccccc1
Molecular Weight1
1115.46
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Physical Properties

Property Value Unit Source
ΔfusH° 127.19 kJ/mol Joback Calculated Property
log10WS -9.84 Relay (1.0) Calculated Property
logPoct/wat 4.642 Crippen Calculated Property
McVol 544.460 ml/mol McGowan Calculated Property
Inp [2251.00; 2251.00]   Show Hide
Inp 2251.00 NIST
Inp 2251.00 NIST
Tfus 431.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [357.42; 1696.61] J/mol×K [1553.04; 2526.64] Show Hide
Cp,gas 1696.61 J/mol×K 1553.04 Joback Calculated Property
Cp,gas 1533.93 J/mol×K 1715.31 Joback Calculated Property
Cp,gas 1337.19 J/mol×K 1877.57 Joback Calculated Property
Cp,gas 1113.79 J/mol×K 2039.84 Joback Calculated Property
Cp,gas 871.11 J/mol×K 2202.11 Joback Calculated Property
Cp,gas 616.52 J/mol×K 2364.37 Joback Calculated Property
Cp,gas 357.42 J/mol×K 2526.64 Joback Calculated Property

Similar Compounds

Mandelonitrile, rhamnoglucoside (isomer # 2), TFA. Sambunigrin, TFA. Prunasin, TFA. Amigdalin, TFA. Amigdalin. N-Acetylnornarcotine. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. benzyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. Noscapine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Butorphanol di-TMS derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine.

Find more compounds similar to Mandelonitrile, rhamnoglucoside (isomer # 1), TFA.

Sources

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