- InChI
- InChI=1S/C12H10N2O3/c1-6(15)14-10-9(13)11(16)7-4-2-3-5-8(7)12(10)17/h2-5H,13H2,1H3,(H,14,15)
- InChI Key
- IZJNNHJVNPVRHJ-UHFFFAOYSA-N
- Formula
- C12H10N2O3
- SMILES
-
CC(=O)NC1=C(N)C(=O)c2ccccc2C1=
O - Molecular Weight1
- 230.22
- CAS
- 13755-96-9
- 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).
- 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° | 1.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 0.372 | Crippen Calculated Property | |
| McVol | 165.690 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 842.63 | K | Joback Calculated Property |
| Tc | 1102.92 | K | Joback Calculated Property |
| Tfus | 630.69 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.45; 527.41] | J/mol×K | [842.63; 1102.92] | 
|
| Cp,gas | 480.45 | J/mol×K | 842.63 | Joback Calculated Property |
| Cp,gas | 491.52 | J/mol×K | 886.01 | Joback Calculated Property |
| Cp,gas | 501.30 | J/mol×K | 929.39 | Joback Calculated Property |
| Cp,gas | 509.80 | J/mol×K | 972.78 | Joback Calculated Property |
| Cp,gas | 517.00 | J/mol×K | 1016.16 | Joback Calculated Property |
| Cp,gas | 522.87 | J/mol×K | 1059.54 | Joback Calculated Property |
| Cp,gas | 527.41 | J/mol×K | 1102.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetylamino-3-amino-1,4-naphthoquinone.
Sources
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