- InChI
- InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3
- InChI Key
- KWOWNYUWWHKUCK-UHFFFAOYSA-N
- Formula
- C26H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O
)O1 - Molecular Weight1
- 394.67
- CAS
- 52788-73-5
- 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).
- 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 | 1.1290 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.904 | Crippen Calculated Property | |
| McVol | 373.780 | ml/mol | McGowan Calculated Property |
| Pc | 812.61 | kPa | Joback Calculated Property |
| Inp | [3157.70; 3157.70] |
|
|
| Inp | 3157.70 | NIST | |
| Inp | 3157.70 | NIST | |
| Tboil | 684.51 | K | Relay (1.0) Calculated Property |
| Tc | 873.63 | K | Relay (1.0) Calculated Property |
| Tfus | 328.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1303.08; 1416.10] | J/mol×K | [904.33; 1107.16] |
|
| Cp,gas | 1303.08 | J/mol×K | 904.33 | Joback Calculated Property |
| Cp,gas | 1325.48 | J/mol×K | 938.13 | Joback Calculated Property |
| Cp,gas | 1346.38 | J/mol×K | 971.94 | Joback Calculated Property |
| Cp,gas | 1365.85 | J/mol×K | 1005.74 | Joback Calculated Property |
| Cp,gas | 1383.92 | J/mol×K | 1039.55 | Joback Calculated Property |
| Cp,gas | 1400.66 | J/mol×K | 1073.35 | Joback Calculated Property |
| Cp,gas | 1416.10 | J/mol×K | 1107.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Docosyldihydrofuran-2(3H)-one.
Sources
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