- InChI
- InChI=1S/C14H14N4O3/c15-17-13(19)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(20)18-16/h1-8H,15-16H2,(H,17,19)(H,18,20)
- InChI Key
- GMVKIRUIWVGPQC-UHFFFAOYSA-N
- Formula
- C14H14N4O3
- SMILES
-
NNC(=O)c1ccc(Oc2ccc(C(=O)NN)cc
2)cc1 - Molecular Weight1
- 286.29
- CAS
- 13092-49-4
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.8946 | Relay (... Calculated Property | |
| ΔcH°solid | -7207.80 | kJ/mol | NIST |
| ΔfG° | 221.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.80 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -304.00 | kJ/mol | NIST |
| ΔfusH° | 44.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.16 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -3.62 | Relay (... Calculated Property | |
| logPoct/wat | 0.686 | Crippen Calculated Property | |
| McVol | 209.530 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 689.94 | K | Relay (... Calculated Property |
| Tc | 1053.29 | K | Relay (... Calculated Property |
| Tfus | 485.27 | K | Relay (... Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.27; 667.86] | J/mol×K | [958.60; 1211.23] | 
|
| Cp,gas | 632.27 | J/mol×K | 958.60 | Joback Calculated Property |
| Cp,gas | 640.86 | J/mol×K | 1000.70 | Joback Calculated Property |
| Cp,gas | 648.32 | J/mol×K | 1042.81 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 1084.91 | Joback Calculated Property |
| Cp,gas | 660.03 | J/mol×K | 1127.02 | Joback Calculated Property |
| Cp,gas | 664.40 | J/mol×K | 1169.12 | Joback Calculated Property |
| Cp,gas | 667.86 | J/mol×K | 1211.23 | Joback Calculated Property |
Similar Compounds
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Sources
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