- InChI
- InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
- InChI Key
- MOCKWYUCPREFCZ-UHFFFAOYSA-N
- Formula
- C7H9N3O
- SMILES
- NNC(=O)Nc1ccccc1
- Molecular Weight1
- 151.17
- 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).
- 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 | 0.6149 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 1.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.33 | Aq. Solubility Prediction | |
| logPoct/wat | 0.682 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 5008.59 | kPa | Joback Calculated Property |
| Tboil | 571.18 | K | Relay (1.0) Calculated Property |
| Tc | 860.70 | K | Relay (1.0) Calculated Property |
| Tfus | 420.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.95; 338.89] | J/mol×K | [612.98; 847.56] | 
|
| Cp,gas | 285.95 | J/mol×K | 612.98 | Joback Calculated Property |
| Cp,gas | 296.72 | J/mol×K | 652.08 | Joback Calculated Property |
| Cp,gas | 306.66 | J/mol×K | 691.17 | Joback Calculated Property |
| Cp,gas | 315.80 | J/mol×K | 730.27 | Joback Calculated Property |
| Cp,gas | 324.19 | J/mol×K | 769.36 | Joback Calculated Property |
| Cp,gas | 331.88 | J/mol×K | 808.46 | Joback Calculated Property |
| Cp,gas | 338.89 | J/mol×K | 847.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-phenylsemicarbazide.
Sources
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