- InChI
- InChI=1S/C13H18N2O3/c1-10(16)15(11(2)17)9-8-14-12-4-6-13(18-3)7-5-12/h4-7,14H,8-9H2,1-3H3
- InChI Key
- CBTZQWVXGNIEMO-UHFFFAOYSA-N
- Formula
- C13H18N2O3
- SMILES
- COc1ccc(NCCN(C(C)=O)C(C)=O)cc1
- Molecular Weight1
- 250.29
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7418 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.502 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [2120.00; 2120.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 628.73 | K | Relay (1.0) Calculated Property |
| Tc | 851.55 | K | Relay (1.0) Calculated Property |
| Tfus | 371.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.02; 622.95] | J/mol×K | [721.27; 929.37] |
|
| Cp,gas | 553.02 | J/mol×K | 721.27 | Joback Calculated Property |
| Cp,gas | 566.92 | J/mol×K | 755.95 | Joback Calculated Property |
| Cp,gas | 579.89 | J/mol×K | 790.64 | Joback Calculated Property |
| Cp,gas | 591.94 | J/mol×K | 825.32 | Joback Calculated Property |
| Cp,gas | 603.12 | J/mol×K | 860.00 | Joback Calculated Property |
| Cp,gas | 613.44 | J/mol×K | 894.69 | Joback Calculated Property |
| Cp,gas | 622.95 | J/mol×K | 929.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanediamine, N-(4-methoxyphenyl)-N,N'-diacetyl.
Sources
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