Chemical Properties of Monotropitoside

Monotropitoside

InChI
InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3
InChI Key
VHUNCYDAXJGCLO-UHFFFAOYSA-N
Formula
C19H26O12
SMILES
COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
Molecular Weight1
446.40
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Physical Properties

Property Value Unit Source
ω 1.2621 Relay (1.0) Calculated Property
ΔfG° -1230.27 kJ/mol Joback Calculated Property
ΔfH°gas -1865.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 75.43 kJ/mol Joback Calculated Property
ΔvapH° 185.26 kJ/mol Relay (1.0) Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
log10WS [-0.74; -0.74]   Show Hide
log10WS -0.74 Aq. Solubility Prediction
log10WS -0.74 Estimated Solubility
logPoct/wat -2.885 Crippen Calculated Property
McVol 299.230 ml/mol McGowan Calculated Property
Pc 2497.50 kPa Joback Calculated Property
Tboil 791.23 K Relay (1.0) Calculated Property
Tc 1149.89 K Relay (1.0) Calculated Property
Tfus 409.39 K Relay (1.0) Calculated Property
Vc 1.148 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [631.84; 1079.79] J/mol×K [1400.30; 1902.63] Show Hide
Cp,gas 1079.79 J/mol×K 1400.30 Joback Calculated Property
Cp,gas 1040.34 J/mol×K 1484.02 Joback Calculated Property
Cp,gas 987.25 J/mol×K 1567.74 Joback Calculated Property
Cp,gas 920.19 J/mol×K 1651.47 Joback Calculated Property
Cp,gas 838.82 J/mol×K 1735.19 Joback Calculated Property
Cp,gas 742.82 J/mol×K 1818.91 Joback Calculated Property
Cp,gas 631.84 J/mol×K 1902.63 Joback Calculated Property
η [1.3277043e-10; 2.7494958e-08] Pa×s [862.59; 1400.30] Show Hide
η 2.7494958e-08 Pa×s 862.59 Joback Calculated Property
η 7.4399738e-09 Pa×s 952.21 Joback Calculated Property
η 2.5208914e-09 Pa×s 1041.83 Joback Calculated Property
η 1.0138978e-09 Pa×s 1131.44 Joback Calculated Property
η 4.6611964e-10 Pa×s 1221.06 Joback Calculated Property
η 2.3831620e-10 Pa×s 1310.68 Joback Calculated Property
η 1.3277043e-10 Pa×s 1400.30 Joback Calculated Property

Similar Compounds

Methyl salicylate, Rut, TFA. Methyl salicylate, Gly, TFA. Salicin. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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Sources

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