- InChI
- InChI=1S/C23H32O5/c1-14(2)23(26)11-10-22(4)9-8-15(3)12-19(20(22)23)28-21(25)16-6-7-17(24)18(13-16)27-5/h6-8,13-14,19-20,24,26H,9-12H2,1-5H3/t19-,20+,22+,23+/m0/s1
- InChI Key
- YEQVRBJRNFLOQJ-KKSHJYNMSA-N
- Formula
- C23H32O5
- SMILES
-
COc1cc(C(=O)OC2CC(C)=CCC3(C)CC
C(O)(C(C)C)C23)ccc1O - Molecular Weight1
- 388.50
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9026 | Relay (1.0) Calculated Property | |
| ΔfG° | -320.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 310.200 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [2858.00; 2858.00] |
|
|
| Inp | 2858.00 | NIST | |
| Inp | 2858.00 | NIST | |
| Tboil | 661.88 | K | Relay (1.0) Calculated Property |
| Tc | 972.81 | K | Relay (1.0) Calculated Property |
| Tfus | 392.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.063 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1150.23; 1363.30] | J/mol×K | [1054.21; 1296.97] |
|
| Cp,gas | 1150.23 | J/mol×K | 1054.21 | Joback Calculated Property |
| Cp,gas | 1180.19 | J/mol×K | 1094.67 | Joback Calculated Property |
| Cp,gas | 1211.90 | J/mol×K | 1135.13 | Joback Calculated Property |
| Cp,gas | 1245.72 | J/mol×K | 1175.59 | Joback Calculated Property |
| Cp,gas | 1281.99 | J/mol×K | 1216.05 | Joback Calculated Property |
| Cp,gas | 1321.06 | J/mol×K | 1256.51 | Joback Calculated Property |
| Cp,gas | 1363.30 | J/mol×K | 1296.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Teferin.
Sources
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