- InChI
- InChI=1S/C14H15N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H3,15,16,17)
- InChI Key
- IKOWCCQMFQLCGP-UHFFFAOYSA-N
- Formula
- C14H15N3
- SMILES
- Cc1ccccc1NC(=N)Nc1ccccc1
- Molecular Weight1
- 225.29
- CAS
- 6268-14-0
- 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).
- 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 | 0.7296 | Relay (1.0) Calculated Property | |
| ΔfG° | 664.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 214.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.454 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 6072.49 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 606.04 | K | Relay (1.0) Calculated Property |
| Tc | 976.92 | K | Relay (1.0) Calculated Property |
| Tfus | 414.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [41.37; 518.60] | J/mol×K | [100.12; 762.74] | 
|
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 41.37 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 518.60 | J/mol×K | 762.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-3-o-tolylguanidine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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