- InChI
- InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
- InChI Key
- ZUZGMJKUENNLQL-ICDJNDDTSA-N
- Formula
- C8H10O
- SMILES
- CC=CC=CC=CC=O
- Molecular Weight1
- 122.16
- CAS
- 17609-31-3
- Other Names
-
- Octatrienal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 157.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.00 | kJ/mol | Joback Calculated Property |
| IE | 8.42 ± 0.03 | eV | NIST |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.874 | Crippen Calculated Property | |
| McVol | 112.250 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 443.58 | K | Joback Calculated Property |
| Tc | 640.89 | K | Joback Calculated Property |
| Tfus | 206.68 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.11; 265.73] | J/mol×K | [443.58; 640.89] | 
|
| Cp,gas | 209.11 | J/mol×K | 443.58 | Joback Calculated Property |
| Cp,gas | 220.20 | J/mol×K | 476.47 | Joback Calculated Property |
| Cp,gas | 230.57 | J/mol×K | 509.35 | Joback Calculated Property |
| Cp,gas | 240.26 | J/mol×K | 542.24 | Joback Calculated Property |
| Cp,gas | 249.32 | J/mol×K | 575.12 | Joback Calculated Property |
| Cp,gas | 257.79 | J/mol×K | 608.01 | Joback Calculated Property |
| Cp,gas | 265.73 | J/mol×K | 640.89 | Joback Calculated Property |
| η | [0.0001825; 0.0039000] | Pa×s | [206.68; 443.58] |
|
| η | 0.0039000 | Pa×s | 206.68 | Joback Calculated Property |
| η | 0.0015547 | Pa×s | 246.16 | Joback Calculated Property |
| η | 0.0007992 | Pa×s | 285.65 | Joback Calculated Property |
| η | 0.0004829 | Pa×s | 325.13 | Joback Calculated Property |
| η | 0.0003254 | Pa×s | 364.61 | Joback Calculated Property |
| η | 0.0002369 | Pa×s | 404.10 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 443.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.70 | K | 0.07 | NIST |
Similar Compounds
Find more compounds similar to 2,4,6-Octatrienal.
Sources
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