- InChI
- InChI=1S/C40H71NO15/c1-15-27-40(11,48)32(43)22(5)29(42)20(3)18-38(9,47)34(56-36-31(55-37(46)50-16-2)26(41(12)13)17-21(4)51-36)23(6)30(24(7)35(45)53-27)54-28-19-39(10,49-14)33(44)25(8)52-28/h20-28,30-34,36,43-44,47-48H,15-19H2,1-14H3
- InChI Key
- BSUQCLSFQSUNED-UHFFFAOYSA-N
- Formula
- C40H71NO15
- SMILES
-
CCOC(=O)OC1C(OC2C(C)C(OC3CC(C)
(OC)C(O)C(C)O3)C(C)C(=O)OC(CC) C(C)(O)C(O)C(C)C(=O)C(C)CC2(C) O)OC(C)CC1N(C)C - Molecular Weight1
- 805.99
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.3806 | Relay (1.0) Calculated Property | |
| ΔfG° | -1463.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2980.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 105.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 216.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 627.010 | ml/mol | McGowan Calculated Property |
| Pc | 562.60 | kPa | Joback Calculated Property |
| Tboil | 898.11 | K | Relay (1.0) Calculated Property |
| Tc | 1183.51 | K | Relay (1.0) Calculated Property |
| Tfus | 432.79 | K | Relay (1.0) Calculated Property |
| Vc | 2.255 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2261.06; 2700.92] | J/mol×K | [1901.70; 3353.93] | 
|
| Cp,gas | 2700.92 | J/mol×K | 1901.70 | Joback Calculated Property |
| Cp,gas | 2615.67 | J/mol×K | 2143.74 | Joback Calculated Property |
| Cp,gas | 2506.35 | J/mol×K | 2385.78 | Joback Calculated Property |
| Cp,gas | 2395.67 | J/mol×K | 2627.82 | Joback Calculated Property |
| Cp,gas | 2306.34 | J/mol×K | 2869.85 | Joback Calculated Property |
| Cp,gas | 2261.06 | J/mol×K | 3111.89 | Joback Calculated Property |
| Cp,gas | 2282.53 | J/mol×K | 3353.93 | Joback Calculated Property |
Similar Compounds
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Sources
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