- 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
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.4308 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) 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 | 507.69 | K | Relay (1.0) Calculated Property |
| Tc | 733.38 | K | Relay (1.0) Calculated Property |
| Tfus | 354.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 11.92 | kJ/mol | 341.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.76; 412.29] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.33100e+01 | |||
| Coefficient B | 5.56600e-01 | |||
| Coefficient C | 3.30000e-05 | |||
| Coefficient D | -1.64000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 259.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 327.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 356.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 379.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 412.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-CYCLOOCTANEDIONE.
Sources
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