- InChI
- InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-13-18-24-20(22)16-17-21(23)25-19-14-11-12-15-19/h10,13,19H,2-9,11-12,14-18H2,1H3/b13-10+
- InChI Key
- CPJMJTNJHCAPJD-JLHYYAGUSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OC1C
CCC1 - Molecular Weight1
- 352.51
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -225.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.492 | Crippen Calculated Property | |
| McVol | 306.470 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | [2591.00; 2591.00] |
|
|
| Inp | 2591.00 | NIST | |
| Inp | 2591.00 | NIST | |
| Tboil | 851.90 | K | Joback Calculated Property |
| Tc | 1049.79 | K | Joback Calculated Property |
| Tfus | 476.57 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.03; 1090.30] | J/mol×K | [851.90; 1049.79] |
|
| Cp,gas | 997.03 | J/mol×K | 851.90 | Joback Calculated Property |
| Cp,gas | 1015.40 | J/mol×K | 884.88 | Joback Calculated Property |
| Cp,gas | 1032.58 | J/mol×K | 917.86 | Joback Calculated Property |
| Cp,gas | 1048.62 | J/mol×K | 950.85 | Joback Calculated Property |
| Cp,gas | 1063.56 | J/mol×K | 983.83 | Joback Calculated Property |
| Cp,gas | 1077.44 | J/mol×K | 1016.81 | Joback Calculated Property |
| Cp,gas | 1090.30 | J/mol×K | 1049.79 | Joback Calculated Property |
| η | [0.0000598; 0.0008826] | Pa×s | [476.57; 851.90] |
|
| η | 0.0008826 | Pa×s | 476.57 | Joback Calculated Property |
| η | 0.0004344 | Pa×s | 539.12 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 601.68 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 664.24 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 726.79 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 789.35 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 851.90 | Joback Calculated Property |
Similar Compounds
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Sources
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