- InChI
- InChI=1S/C21H38O4/c1-3-5-7-12-15-19-25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-6-4-2/h4H,2-3,5-19H2,1H3
- InChI Key
- DNGGQHJUOLGNST-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CC - Molecular Weight1
- 354.52
- 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° | -254.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.19 | Crippen Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1040.58 | kPa | Joback Calculated Property |
| Inp | [2472.00; 2472.00] |
|
|
| Inp | 2472.00 | NIST | |
| Inp | 2472.00 | NIST | |
| Tboil | 829.14 | K | Joback Calculated Property |
| Tc | 1016.39 | K | Joback Calculated Property |
| Tfus | 468.99 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.79; 1095.98] | J/mol×K | [829.14; 1016.39] |
|
| Cp,gas | 1002.79 | J/mol×K | 829.14 | Joback Calculated Property |
| Cp,gas | 1020.92 | J/mol×K | 860.35 | Joback Calculated Property |
| Cp,gas | 1037.99 | J/mol×K | 891.56 | Joback Calculated Property |
| Cp,gas | 1054.00 | J/mol×K | 922.77 | Joback Calculated Property |
| Cp,gas | 1068.99 | J/mol×K | 953.97 | Joback Calculated Property |
| Cp,gas | 1082.97 | J/mol×K | 985.18 | Joback Calculated Property |
| Cp,gas | 1095.98 | J/mol×K | 1016.39 | Joback Calculated Property |
| η | [0.0000493; 0.0007636] | Pa×s | [468.99; 829.14] |
|
| η | 0.0007636 | Pa×s | 468.99 | Joback Calculated Property |
| η | 0.0003732 | Pa×s | 529.01 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 589.04 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 649.07 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 709.09 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 769.12 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 829.14 | Joback Calculated Property |
Similar Compounds
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Sources
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