- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.61; 1247.14] | 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 | -4.88820e+01 | |||
| Coefficient B | 2.37032e+00 | |||
| Coefficient C | -1.36100e-03 | |||
| Coefficient D | 2.86700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 502.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 632.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 747.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 850.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 941.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1020.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1090.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1150.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1202.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1247.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017740; 0.0001333] | Pa×s | [416.99; 702.22] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.27076e+01 | |||
| Coefficient B | 2.65753e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 416.99 | |||
| Temperature range, max. | 702.22 | |||
| η | 0.0017740 | Pa×s | 416.99 | Calculated Property |
| η | 0.0011310 | Pa×s | 448.68 | Calculated Property |
| η | 0.0007652 | Pa×s | 480.37 | Calculated Property |
| η | 0.0005433 | Pa×s | 512.07 | Calculated Property |
| η | 0.0004015 | Pa×s | 543.76 | Calculated Property |
| η | 0.0003068 | Pa×s | 575.45 | Calculated Property |
| η | 0.0002410 | Pa×s | 607.14 | Calculated Property |
| η | 0.0001940 | Pa×s | 638.83 | Calculated Property |
| η | 0.0001594 | Pa×s | 670.52 | Calculated Property |
| η | 0.0001333 | Pa×s | 702.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Nonadecyltetrahydro-2H-pyran-2-one.
Sources
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