- 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
- 308.50
- CAS
- 14113-56-5
- 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 (... Calculated Property | |
| ΔfG° | -264.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -4.95 | Relay (... 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 (... Calculated Property |
| Tc | 903.53 | K | Relay (... Calculated Property |
| Tfus | 371.54 | K | Relay (... Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.23; 1072.43] | J/mol×K | [876.64; 1158.91] | 
|
| Cp,gas | 996.23 | J/mol×K | 876.64 | Joback Calculated Property |
| Cp,gas | 1021.82 | J/mol×K | 923.68 | Joback Calculated Property |
| Cp,gas | 1042.48 | J/mol×K | 970.73 | Joback Calculated Property |
| Cp,gas | 1057.95 | J/mol×K | 1017.77 | Joback Calculated Property |
| Cp,gas | 1068.02 | J/mol×K | 1064.82 | Joback Calculated Property |
| Cp,gas | 1072.43 | J/mol×K | 1111.86 | Joback Calculated Property |
| Cp,gas | 1070.95 | J/mol×K | 1158.91 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to 1,10-Cycloeicosanedione.
Sources
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