- InChI
- InChI=1S/C19H17N/c20-14-19(12-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)13-18/h1-3,6-7,10-13H,4-5,8-9H2/b19-12+
- InChI Key
- KWLAKAURBXFIEX-XDHOZWIPSA-N
- Formula
- C19H17N
- SMILES
-
N#CC(=Cc1ccccc1)c1ccc2c(c1)CCC
C2 - Molecular Weight1
- 259.35
- CAS
- 21848-09-9
- 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 | 0.5933 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10165.00 | kJ/mol | NIST |
| ΔfG° | 575.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 311.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 259.00 | kJ/mol | NIST |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.630 | Crippen Calculated Property | |
| McVol | 217.270 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Tboil | 679.94 | K | Relay (1.0) Calculated Property |
| Tc | 964.01 | K | Relay (1.0) Calculated Property |
| Tfus | 370.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.30; 699.23] | J/mol×K | [819.24; 1082.88] | 
|
| Cp,gas | 619.30 | J/mol×K | 819.24 | Joback Calculated Property |
| Cp,gas | 634.90 | J/mol×K | 863.18 | Joback Calculated Property |
| Cp,gas | 649.35 | J/mol×K | 907.12 | Joback Calculated Property |
| Cp,gas | 662.83 | J/mol×K | 951.06 | Joback Calculated Property |
| Cp,gas | 675.51 | J/mol×K | 995.00 | Joback Calculated Property |
| Cp,gas | 687.58 | J/mol×K | 1038.94 | Joback Calculated Property |
| Cp,gas | 699.23 | J/mol×K | 1082.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyliden-5,6,7,8-tetrahydronaphthyl-2-acetonitrile.
Sources
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