- InChI
- InChI=1S/C18H17N/c1-14(2)16-10-8-15(9-11-16)12-18(13-19)17-6-4-3-5-7-17/h3-12,14H,1-2H3/b18-12+
- InChI Key
- BLSSXJYYFIBNAQ-LDADJPATSA-N
- Formula
- C18H17N
- SMILES
-
CC(C)c1ccc(C=C(C#N)c2ccccc2)cc
1 - Molecular Weight1
- 247.33
- CAS
- 4452-07-7
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -9746.00 | kJ/mol | NIST |
| ΔfG° | 518.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 313.77 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 233.30 | kJ/mol | NIST |
| ΔfusH° | 26.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.874 | Crippen Calculated Property | |
| McVol | 214.040 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Tboil | 775.26 | K | Joback Calculated Property |
| Tc | 1025.75 | K | Joback Calculated Property |
| Tfus | 388.93 | K | Joback Calculated Property |
| Vc | 0.829 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.16; 660.44] | J/mol×K | [775.26; 1025.75] | 
|
| Cp,gas | 584.16 | J/mol×K | 775.26 | Joback Calculated Property |
| Cp,gas | 599.47 | J/mol×K | 817.01 | Joback Calculated Property |
| Cp,gas | 613.59 | J/mol×K | 858.76 | Joback Calculated Property |
| Cp,gas | 626.62 | J/mol×K | 900.51 | Joback Calculated Property |
| Cp,gas | 638.70 | J/mol×K | 942.25 | Joback Calculated Property |
| Cp,gas | 649.93 | J/mol×K | 984.00 | Joback Calculated Property |
| Cp,gas | 660.44 | J/mol×K | 1025.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzylidene-p-isopropylphenylacetonitrile.
Sources
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