- InChI
- InChI=1S/C8H12O2/c9-7-3-1-2-4-8(10)6-5-7/h1-6H2
- InChI Key
- LZTHLBQVLFQNKK-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- O=C1CCCCC(=O)CC1
- Molecular Weight1
- 140.18
- CAS
- 55794-45-1
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔfG° | -220.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.63 | Crippen Calculated Property | |
| logPoct/wat | 1.479 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 550.84 | K | Joback Calculated Property |
| Tc | 806.42 | K | Joback Calculated Property |
| Tfus | 320.94 | K | Joback Calculated Property |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.89; 371.00] | J/mol×K | [550.84; 806.42] | 
|
| Cp,gas | 275.89 | J/mol×K | 550.84 | Joback Calculated Property |
| Cp,gas | 294.34 | J/mol×K | 593.44 | Joback Calculated Property |
| Cp,gas | 311.86 | J/mol×K | 636.03 | Joback Calculated Property |
| Cp,gas | 328.36 | J/mol×K | 678.63 | Joback Calculated Property |
| Cp,gas | 343.76 | J/mol×K | 721.23 | Joback Calculated Property |
| Cp,gas | 358.00 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 371.00 | J/mol×K | 806.42 | Joback Calculated Property |
| ΔfusH | 11.92 | kJ/mol | 341.20 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Cyclooctanedione.
Sources
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