- InChI
- InChI=1S/C18H16N2O2/c1-21-17(13-19,15-9-5-3-6-10-15)18(14-20,22-2)16-11-7-4-8-12-16/h3-12H,1-2H3/t17-,18+
- InChI Key
- IESMRPVAAQUHSX-HDICACEKSA-N
- Formula
- C18H16N2O2
- SMILES
-
COC(C#N)(c1ccccc1)C(C#N)(OC)c1
ccccc1 - Molecular Weight1
- 292.33
- CAS
- 61502-56-5
- 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 | -9393.20 ± 1.90 | kJ/mol | NIST |
| ΔfG° | 387.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 170.00 | kJ/mol | NIST |
| ΔfH°solid | 23.40 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 21.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.117 | Crippen Calculated Property | |
| McVol | 231.460 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Tboil | 907.14 | K | Joback Calculated Property |
| Tc | 1166.29 | K | Joback Calculated Property |
| Tfus | 524.74 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.74; 735.20] | J/mol×K | [907.14; 1166.29] | 
|
| Cp,gas | 680.74 | J/mol×K | 907.14 | Joback Calculated Property |
| Cp,gas | 692.09 | J/mol×K | 950.33 | Joback Calculated Property |
| Cp,gas | 702.36 | J/mol×K | 993.52 | Joback Calculated Property |
| Cp,gas | 711.67 | J/mol×K | 1036.71 | Joback Calculated Property |
| Cp,gas | 720.16 | J/mol×K | 1079.91 | Joback Calculated Property |
| Cp,gas | 727.96 | J/mol×K | 1123.10 | Joback Calculated Property |
| Cp,gas | 735.20 | J/mol×K | 1166.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Meso-2,3-dimethoxy-2,3-diphenylsuccinnonitrile.
Sources
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