- InChI
- InChI=1S/C15H10N4O/c1-20-15(12-5-3-2-4-6-12)7-13(8-16,9-17)14(15,10-18)11-19/h2-6H,7H2,1H3
- InChI Key
- NFNVEVHERDVBKE-UHFFFAOYSA-N
- Formula
- C15H10N4O
- SMILES
-
COC1(c2ccccc2)CC(C#N)(C#N)C1(C
#N)C#N - Molecular Weight1
- 262.27
- CAS
- 73408-16-9
- 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 | 0.5224 | Relay (... Calculated Property | |
| ΔfG° | 632.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 594.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.86 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 1.999 | Crippen Calculated Property | |
| McVol | 198.980 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Tboil | 592.02 | K | Relay (... Calculated Property |
| Tc | 887.28 | K | Relay (... Calculated Property |
| Tfus | 350.50 | K | Relay (... Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.24; 850.15] | J/mol×K | [1002.41; 1275.21] | 
|
| Cp,gas | 617.24 | J/mol×K | 1002.41 | Joback Calculated Property |
| Cp,gas | 644.25 | J/mol×K | 1047.88 | Joback Calculated Property |
| Cp,gas | 675.22 | J/mol×K | 1093.34 | Joback Calculated Property |
| Cp,gas | 710.72 | J/mol×K | 1138.81 | Joback Calculated Property |
| Cp,gas | 751.32 | J/mol×K | 1184.27 | Joback Calculated Property |
| Cp,gas | 797.61 | J/mol×K | 1229.74 | Joback Calculated Property |
| Cp,gas | 850.15 | J/mol×K | 1275.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,2,2-Cyclobutanetetracarbonitrile, 3-methoxy-3-phenyl-.
Sources
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