- InChI
- InChI=1S/C21H40O4/c1-5-7-8-9-10-11-12-13-14-15-16-24-20(22)17-21(23)25-19(6-2)18(3)4/h18-19H,5-17H2,1-4H3
- InChI Key
- KBLZVDKRZUSDPU-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CC(=O)OC(CC)
C(C)C - Molecular Weight1
- 356.54
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0011 | Relay (1.0) Calculated Property | |
| ΔfG° | -346.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1116.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.818 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1023.34 | kPa | Joback Calculated Property |
| Inp | [2304.00; 2304.00] |
|
|
| Inp | 2304.00 | NIST | |
| Inp | 2304.00 | NIST | |
| Tboil | 611.53 | K | Relay (1.0) Calculated Property |
| Tc | 792.24 | K | Relay (1.0) Calculated Property |
| Tfus | 235.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.210 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.20; 1127.14] | J/mol×K | [831.58; 1019.89] |
|
| Cp,gas | 1031.20 | J/mol×K | 831.58 | Joback Calculated Property |
| Cp,gas | 1049.98 | J/mol×K | 862.97 | Joback Calculated Property |
| Cp,gas | 1067.62 | J/mol×K | 894.35 | Joback Calculated Property |
| Cp,gas | 1084.13 | J/mol×K | 925.74 | Joback Calculated Property |
| Cp,gas | 1099.54 | J/mol×K | 957.12 | Joback Calculated Property |
| Cp,gas | 1113.87 | J/mol×K | 988.51 | Joback Calculated Property |
| Cp,gas | 1127.14 | J/mol×K | 1019.89 | Joback Calculated Property |
| η | [0.0000387; 0.0010562] | Pa×s | [440.75; 831.58] |
|
| η | 0.0010562 | Pa×s | 440.75 | Joback Calculated Property |
| η | 0.0004270 | Pa×s | 505.89 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 571.03 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 636.16 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 701.30 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 766.44 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 831.58 | Joback Calculated Property |
Similar Compounds
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Sources
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