- InChI
- InChI=1S/C27H34N2O10/c1-14(30)18(26(32)28-16-9-20(34-3)24(38-7)21(10-16)35-4)13-19(15(2)31)27(33)29-17-11-22(36-5)25(39-8)23(12-17)37-6/h9-12,18-19H,13H2,1-8H3,(H,28,32)(H,29,33)
- InChI Key
- HSSQSPPVRLGGLX-UHFFFAOYSA-N
- Formula
- C27H34N2O10
- SMILES
-
COc1cc(NC(=O)C(CC(C(C)=O)C(=O)
Nc2cc(OC)c(OC)c(OC)c2)C(C)=O)c c(OC)c1OC - Molecular Weight1
- 546.57
- CAS
- 107541-85-5
- 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 | 1.3252 | Relay (... Calculated Property | |
| ΔfG° | -628.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1386.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 68.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.08 | eV | Relay (... Calculated Property |
| log10WS | -3.43 | Relay (... Calculated Property | |
| logPoct/wat | 3.116 | Crippen Calculated Property | |
| McVol | 405.230 | ml/mol | McGowan Calculated Property |
| Pc | 1077.81 | kPa | Joback Calculated Property |
| Tboil | 763.80 | K | Relay (... Calculated Property |
| Tc | 1124.31 | K | Relay (... Calculated Property |
| Tfus | 517.12 | K | Relay (... Calculated Property |
| Vc | 1.397 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.28; 1323.96] | J/mol×K | [1349.86; 1693.84] | 
|
| Cp,gas | 1323.96 | J/mol×K | 1349.86 | Joback Calculated Property |
| Cp,gas | 1305.45 | J/mol×K | 1407.19 | Joback Calculated Property |
| Cp,gas | 1280.17 | J/mol×K | 1464.52 | Joback Calculated Property |
| Cp,gas | 1247.96 | J/mol×K | 1521.85 | Joback Calculated Property |
| Cp,gas | 1208.68 | J/mol×K | 1579.18 | Joback Calculated Property |
| Cp,gas | 1162.17 | J/mol×K | 1636.51 | Joback Calculated Property |
| Cp,gas | 1108.28 | J/mol×K | 1693.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha'-diacetyl-3,3',4,4',5,5',-hexamethoxy-glutaranilide.
Sources
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