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

Mandelonitrile, rhamnoglucoside (isomer # 1), TFA

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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
Δf -5633.46 kJ/mol Joback Calculated Property
Δfgas -6804.00 kJ/mol Joback Calculated Property
Δfus 116.11 kJ/mol Joback Calculated Property
Δvap 151.51 kJ/mol Joback Calculated Property
log10WS -8.48 Crippen Calculated Property
logPoct/wat 4.642 Crippen Calculated Property
McVol 544.460 ml/mol McGowan Calculated Property
Pc 500.93 kPa Joback Calculated Property
Inp [2251.00; 2251.00]   Show Hide
Inp 2251.00 NIST
Inp 2251.00 NIST
Tboil 1679.33 K Joback Calculated Property
Tc 2944.67 K Joback Calculated Property
Tfus 1150.97 K Joback Calculated Property
Vc 2.200 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [-51.34; 1666.92] J/mol×K [1679.33; 2944.67] Show Hide
Cp,gas 1666.92 J/mol×K 1679.33 Joback Calculated Property
Cp,gas 1450.40 J/mol×K 1890.22 Joback Calculated Property
Cp,gas 1187.87 J/mol×K 2101.11 Joback Calculated Property
Cp,gas 892.87 J/mol×K 2312.00 Joback Calculated Property
Cp,gas 578.97 J/mol×K 2522.89 Joback Calculated Property
Cp,gas 259.72 J/mol×K 2733.78 Joback Calculated Property
Cp,gas -51.34 J/mol×K 2944.67 Joback Calculated Property

Similar Compounds

Mandelonitrile, rhamnoglucoside (isomer # 2), TFA. Amigdalin, TFA. Prunasin, TFA. Sambunigrin, 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. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 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. cis-1,2-Tetralinediol, ferrocenylboronate. Noscapine. Hydrastine.

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

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