- InChI
- InChI=1S/C20H36O2/c21-19-15-11-7-3-1-2-4-8-12-16-20(22)18-14-10-6-5-9-13-17-19/h1-18H2
- InChI Key
- LDGQUFYTSFGKFE-UHFFFAOYSA-N
- Formula
- C20H36O2
- SMILES
- O=C1CCCCCCCCCCC(=O)CCCCCCCC1
- Molecular Weight1
- 308.51
- 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 | 0.4553 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.160 | Crippen Calculated Property | |
| McVol | 284.940 | ml/mol | McGowan Calculated Property |
| Pc | 1625.91 | kPa | Joback Calculated Property |
| Tboil | 700.21 | K | Relay (1.0) Calculated Property |
| Tc | 905.31 | K | Relay (1.0) Calculated Property |
| Tfus | 365.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [55.06; 55.06] | kJ/mol | [327.20; 327.20] | 
|
| ΔfusH | 55.06 | kJ/mol | 327.20 | NIST |
| ΔfusH | 55.06 | kJ/mol | 327.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.63; 1052.73] | 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 | -8.56700e+01 | |||
| Coefficient B | 1.58140e+00 | |||
| Coefficient C | -6.30000e-05 | |||
| Coefficient D | -3.80000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 333.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 558.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 660.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 754.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 838.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 911.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 971.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1019.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1052.73 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-CYCLOEICOSANEDIONE.
Sources
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