- InChI
- InChI=1S/C10H8O2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-8H
- InChI Key
- XMXUYXIFVYQLKJ-UHFFFAOYSA-N
- Formula
- C10H8O2
- SMILES
- O=CC(C=O)=Cc1ccccc1
- Molecular Weight1
- 160.17
- CAS
- 82700-43-4
- Other Names
-
- Benzalmalonic dialdehyde
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4777 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.468 | Crippen Calculated Property | |
| McVol | 126.840 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Inp | [1215.00; 1219.00] |
|
|
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Tboil | 536.11 | K | Relay (1.0) Calculated Property |
| Tc | 785.65 | K | Relay (1.0) Calculated Property |
| Tfus | 308.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.95; 332.93] | J/mol×K | [556.24; 783.43] |
|
| Cp,gas | 275.95 | J/mol×K | 556.24 | Joback Calculated Property |
| Cp,gas | 287.44 | J/mol×K | 594.10 | Joback Calculated Property |
| Cp,gas | 298.06 | J/mol×K | 631.97 | Joback Calculated Property |
| Cp,gas | 307.86 | J/mol×K | 669.83 | Joback Calculated Property |
| Cp,gas | 316.90 | J/mol×K | 707.70 | Joback Calculated Property |
| Cp,gas | 325.24 | J/mol×K | 745.56 | Joback Calculated Property |
| Cp,gas | 332.93 | J/mol×K | 783.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzylidenemalonaldehyde.
Sources
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