- InChI
- InChI=1S/C15H18N2O5/c1-9(18)16(10(2)19)13-6-7-15(22-5)14(8-13)17(11(3)20)12(4)21/h6-8H,1-5H3
- InChI Key
- KRBQLADALVNGTP-UHFFFAOYSA-N
- Formula
- C15H18N2O5
- SMILES
-
COc1ccc(N(C(C)=O)C(C)=O)cc1N(C
(C)=O)C(C)=O - Molecular Weight1
- 306.31
- 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 | 0.8760 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.494 | Crippen Calculated Property | |
| McVol | 230.560 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | 2155.00 | NIST | |
| Tboil | 613.31 | K | Relay (1.0) Calculated Property |
| Tc | 889.55 | K | Relay (1.0) Calculated Property |
| Tfus | 429.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.22; 731.02] | J/mol×K | [842.02; 1056.92] | 
|
| Cp,gas | 674.22 | J/mol×K | 842.02 | Joback Calculated Property |
| Cp,gas | 686.10 | J/mol×K | 877.84 | Joback Calculated Property |
| Cp,gas | 696.97 | J/mol×K | 913.65 | Joback Calculated Property |
| Cp,gas | 706.86 | J/mol×K | 949.47 | Joback Calculated Property |
| Cp,gas | 715.81 | J/mol×K | 985.29 | Joback Calculated Property |
| Cp,gas | 723.85 | J/mol×K | 1021.11 | Joback Calculated Property |
| Cp,gas | 731.02 | J/mol×K | 1056.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxybenzene-1,3-diamine, N1,N1,N3,N3-tetraacetyl-.
Sources
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