- InChI
- InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h19H,2-18H2,1H3
- InChI Key
- LLPDOHGLBDHCJZ-UHFFFAOYSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCCCCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 310.52
- 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 | 0.8948 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.563 | Crippen Calculated Property | |
| McVol | 289.240 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [2573.10; 2573.10] |
|
|
| Inp | 2573.10 | NIST | |
| Inp | 2573.10 | NIST | |
| Tboil | 655.77 | K | Relay (1.0) Calculated Property |
| Tc | 842.21 | K | Relay (1.0) Calculated Property |
| Tfus | 306.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.109 | 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 | [417.76; 1040.77] | 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 | -4.52460e+01 | |||
| Coefficient B | 1.99032e+00 | |||
| Coefficient C | -1.14340e-03 | |||
| Coefficient D | 2.39100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 417.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 526.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 623.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 785.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 852.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 910.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 960.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1003.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1040.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026193; 0.0002093] | Pa×s | [371.91; 632.52] |
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 | -1.20777e+01 | |||
| Coefficient B | 2.28089e+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. | 371.91 | |||
| Temperature range, max. | 632.52 | |||
| η | 0.0026193 | Pa×s | 371.91 | Calculated Property |
| η | 0.0016819 | Pa×s | 400.87 | Calculated Property |
| η | 0.0011463 | Pa×s | 429.82 | Calculated Property |
| η | 0.0008201 | Pa×s | 458.78 | Calculated Property |
| η | 0.0006105 | Pa×s | 487.74 | Calculated Property |
| η | 0.0004697 | Pa×s | 516.70 | Calculated Property |
| η | 0.0003716 | Pa×s | 545.65 | Calculated Property |
| η | 0.0003010 | Pa×s | 574.61 | Calculated Property |
| η | 0.0002488 | Pa×s | 603.57 | Calculated Property |
| η | 0.0002093 | Pa×s | 632.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Meadowlactone.
Sources
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