- InChI
- InChI=1S/C13H16N2O4/c1-8(16)14-12-7-11(5-6-13(12)19-4)15(9(2)17)10(3)18/h5-7H,1-4H3,(H,14,16)
- InChI Key
- DQPHCEHTPHJVPY-UHFFFAOYSA-N
- Formula
- C13H16N2O4
- SMILES
-
COc1ccc(N(C(C)=O)C(C)=O)cc1NC(
C)=O - Molecular Weight1
- 264.28
- 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° | -139.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.553 | Crippen Calculated Property | |
| McVol | 200.810 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | 2258.00 | NIST | |
| Tboil | 780.12 | K | Joback Calculated Property |
| Tc | 995.18 | K | Joback Calculated Property |
| Tfus | 544.88 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.53; 624.91] | J/mol×K | [780.12; 995.18] | 
|
| Cp,gas | 565.53 | J/mol×K | 780.12 | Joback Calculated Property |
| Cp,gas | 577.70 | J/mol×K | 815.96 | Joback Calculated Property |
| Cp,gas | 588.93 | J/mol×K | 851.81 | Joback Calculated Property |
| Cp,gas | 599.24 | J/mol×K | 887.65 | Joback Calculated Property |
| Cp,gas | 608.66 | J/mol×K | 923.49 | Joback Calculated Property |
| Cp,gas | 617.21 | J/mol×K | 959.33 | Joback Calculated Property |
| Cp,gas | 624.91 | J/mol×K | 995.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxybenzene-1,3-diamine, N1,N1,N3-triacetyl-.
Sources
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