Chemical Properties of «alpha»-Terpineol, rutinoside, TFA

«alpha»-Terpineol, rutinoside, TFA

InChI
InChI=1S/C34H32F18O16/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChI Key
PHHGLMDXBUCCCT-KLCWCDKESA-N
Formula
C34H32F18O16
SMILES
CC1=CCC(C(C)(C)OC2OC(COC3OC(C)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C3OC(=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)CC1
Molecular Weight1
1038.58
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Physical Properties

Property Value Unit Source
ΔfusH° 116.81 kJ/mol Joback Calculated Property
logPoct/wat 5.859 Crippen Calculated Property
McVol 553.020 ml/mol McGowan Calculated Property
Inp [2241.00; 2251.00]   Show Hide
Inp 2251.00 NIST
Inp 2241.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [927.50; 2009.82] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.11810e+01
Coefficient B3.90448e+00
Coefficient C-2.22624e-03
Coefficient D3.10400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 927.50 J/mol×K 273.00 Calculated Property
Cp,gas 1137.61 J/mol×K 353.78 Calculated Property
Cp,gas 1322.97 J/mol×K 434.56 Calculated Property
Cp,gas 1484.55 J/mol×K 515.33 Calculated Property
Cp,gas 1623.35 J/mol×K 596.11 Calculated Property
Cp,gas 1740.33 J/mol×K 676.89 Calculated Property
Cp,gas 1836.49 J/mol×K 757.67 Calculated Property
Cp,gas 1912.80 J/mol×K 838.44 Calculated Property
Cp,gas 1970.25 J/mol×K 919.22 Calculated Property
Cp,gas 2009.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

.alpha.-Terpineol, .beta.-D-glucopyranoside, TFA. «alpha»-Terpineol, 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. 3-Oxo-.alpha.-ionol, Gly, TFA. Vomifoliol 1A, Gly, TFA. Vomifoliol 2A, Gly, TFA. GA5-13-O-«beta»-D-glucopyranoside, permethyl. GA35-11«beta»-O-glucoside, permethylated. (S)-Linalol rutinoside, TFA. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. GA20-13-O-glucoside, permethylated. GA20-13-O-glucoside, permethyl. GA29-2-O-«beta»-D-glucopyranoside, permethyl. GA29-2-O-glucoside, permethyl. GA29-2«beta»-O-glucoside, permethylated. 4-Oxo-«beta»-ionol, Gly, TFA.

Find more compounds similar to «alpha»-Terpineol, rutinoside, TFA.

Sources

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