- InChI
- InChI=1S/C13H13NO5/c1-2-18-12(15)8-17-9-13(16)19-11-5-3-10(7-14)4-6-11/h3-6H,2,8-9H2,1H3
- InChI Key
- SJDVORNDWQRYOC-UHFFFAOYSA-N
- Formula
- C13H13NO5
- SMILES
- CCOC(=O)COCC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 263.25
- 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° | -278.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.67 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.043 | Crippen Calculated Property | |
| McVol | 192.400 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [2553.00; 2553.00] |
|
|
| Inp | 2553.00 | NIST | |
| Inp | 2553.00 | NIST | |
| Tboil | 805.58 | K | Joback Calculated Property |
| Tc | 1024.36 | K | Joback Calculated Property |
| Tfus | 506.75 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.68; 582.21] | J/mol×K | [805.58; 1024.36] |
|
| Cp,gas | 532.68 | J/mol×K | 805.58 | Joback Calculated Property |
| Cp,gas | 543.36 | J/mol×K | 842.04 | Joback Calculated Property |
| Cp,gas | 553.10 | J/mol×K | 878.51 | Joback Calculated Property |
| Cp,gas | 561.86 | J/mol×K | 914.97 | Joback Calculated Property |
| Cp,gas | 569.64 | J/mol×K | 951.43 | Joback Calculated Property |
| Cp,gas | 576.43 | J/mol×K | 987.89 | Joback Calculated Property |
| Cp,gas | 582.21 | J/mol×K | 1024.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-cyanophenyl ethyl ester.
Sources
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