- InChI
- InChI=1S/C30H42O10/c1-15-12-29-13-16(15)8-9-18(29)30-11-10-19(28(2,27(32)40-30)24(30)20(29)25(31)37-7)39-26-23(36-6)22(35-5)21(34-4)17(38-26)14-33-3/h10-11,16-24,26H,1,8-9,12-14H2,2-7H3/t16?,17-,18-,19+,20-,21-,22+,23-,24-,26+,28-,29+,30-/m0/s1
- InChI Key
- YOYYQLDJKFHNDN-ACYHDOQYSA-N
- Formula
- C30H42O10
- SMILES
-
C=C1CC23CC1CCC2C12C=CC(OC4OC(C
OC)C(OC)C(OC)C4OC)C(C)(C(=O)O1 )C2C3C(=O)OC - Molecular Weight1
- 562.65
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -535.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1518.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 409.900 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | [3391.00; 3391.00] |
|
|
| Inp | 3391.00 | NIST | |
| Inp | 3391.00 | NIST | |
| Tboil | 1224.05 | K | Joback Calculated Property |
| Tc | 1499.67 | K | Joback Calculated Property |
| Tfus | 879.03 | K | Joback Calculated Property |
| Vc | 1.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1827.21; 2227.85] | J/mol×K | [1224.05; 1499.67] |
|
| Cp,gas | 1827.21 | J/mol×K | 1224.05 | Joback Calculated Property |
| Cp,gas | 1882.06 | J/mol×K | 1269.99 | Joback Calculated Property |
| Cp,gas | 1940.90 | J/mol×K | 1315.92 | Joback Calculated Property |
| Cp,gas | 2004.33 | J/mol×K | 1361.86 | Joback Calculated Property |
| Cp,gas | 2072.91 | J/mol×K | 1407.80 | Joback Calculated Property |
| Cp,gas | 2147.22 | J/mol×K | 1453.74 | Joback Calculated Property |
| Cp,gas | 2227.85 | J/mol×K | 1499.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GA7-3«beta»-O-glucoside, permethylated.
Sources
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