- InChI
- InChI=1S/C38H70O21/c1-39-15-20-24(42-4)28(46-8)31(49-11)35(55-20)53-17-21-25(43-5)29(47-9)32(50-12)36(56-21)54-18-22-26(44-6)30(48-10)33(51-13)37(57-22)59-38(19-41-3)34(52-14)27(45-7)23(58-38)16-40-2/h20-37H,15-19H2,1-14H3/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,34+,35?,36?,37-,38+/m0/s1
- InChI Key
- UAFWRHUGEBPTGM-NYOZWESTSA-N
- Formula
- C38H70O21
- SMILES
-
COCC1OC(OCC2OC(OCC3OC(OC4(COC)
OC(COC)C(OC)C4OC)C(OC)C(OC)C3O C)C(OC)C(OC)C2OC)C(OC)C(OC)C1O C - Molecular Weight1
- 862.95
- 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° | -1871.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3669.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 125.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.95 | kJ/mol | Joback Calculated Property |
| log10WS | -0.25 | Crippen Calculated Property | |
| logPoct/wat | -0.590 | Crippen Calculated Property | |
| McVol | 626.110 | ml/mol | McGowan Calculated Property |
| Pc | 425.83 | kPa | Joback Calculated Property |
| Inp | 3873.00 | NIST | |
| Tboil | 1561.90 | K | Joback Calculated Property |
| Tc | 2268.09 | K | Joback Calculated Property |
| Tfus | 995.55 | K | Joback Calculated Property |
| Vc | 2.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-804.67; 2174.27] | J/mol×K | [1561.90; 2268.09] | 
|
| Cp,gas | 2174.27 | J/mol×K | 1561.90 | Joback Calculated Property |
| Cp,gas | 1911.89 | J/mol×K | 1679.60 | Joback Calculated Property |
| Cp,gas | 1563.45 | J/mol×K | 1797.30 | Joback Calculated Property |
| Cp,gas | 1123.28 | J/mol×K | 1914.99 | Joback Calculated Property |
| Cp,gas | 585.66 | J/mol×K | 2032.69 | Joback Calculated Property |
| Cp,gas | -55.09 | J/mol×K | 2150.39 | Joback Calculated Property |
| Cp,gas | -804.67 | J/mol×K | 2268.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stachyose, permethyl.
Sources
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