- InChI
- InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(25)26-23/h23H,2-22H2,1H3
- InChI Key
- UKEXHCKUCRRCAR-UHFFFAOYSA-N
- Formula
- C24H46O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC1CCCC(=O)O
1 - Molecular Weight1
- 366.62
- CAS
- 159190-68-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 1.0352 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -805.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.124 | Crippen Calculated Property | |
| McVol | 345.600 | ml/mol | McGowan Calculated Property |
| Pc | 884.72 | kPa | Joback Calculated Property |
| Inp | [2999.50; 2999.50] |
|
|
| Inp | 2999.50 | NIST | |
| Inp | 2999.50 | NIST | |
| Tboil | 681.14 | K | Relay (1.0) Calculated Property |
| Tc | 870.83 | K | Relay (1.0) Calculated Property |
| Tfus | 317.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.330 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.25; 1248.74] | J/mol×K | [817.95; 1003.16] |
|
| Cp,gas | 1136.25 | J/mol×K | 817.95 | Joback Calculated Property |
| Cp,gas | 1157.84 | J/mol×K | 848.82 | Joback Calculated Property |
| Cp,gas | 1178.22 | J/mol×K | 879.69 | Joback Calculated Property |
| Cp,gas | 1197.45 | J/mol×K | 910.56 | Joback Calculated Property |
| Cp,gas | 1215.58 | J/mol×K | 941.43 | Joback Calculated Property |
| Cp,gas | 1232.66 | J/mol×K | 972.30 | Joback Calculated Property |
| Cp,gas | 1248.74 | J/mol×K | 1003.16 | Joback Calculated Property |
| η | [0.0000780; 0.0017740] | Pa×s | [416.99; 817.95] |
|
| η | 0.0017740 | Pa×s | 416.99 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 483.82 | Joback Calculated Property |
| η | 0.0003777 | Pa×s | 550.64 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 617.47 | Joback Calculated Property |
| η | 0.0001472 | Pa×s | 684.30 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 751.12 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 817.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Nonadecyltetrahydro-2H-pyran-2-one.
Sources
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