- InChI
- InChI=1S/C21H38O5/c1-4-5-6-7-8-9-10-11-14-17-25-20(23)15-12-13-16-21(24)26-19(3)18(2)22/h19H,4-17H2,1-3H3
- InChI Key
- YTWYGDOTSPNSLD-UHFFFAOYSA-N
- Formula
- C21H38O5
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCC(=O)OC(C
)C(C)=O - Molecular Weight1
- 370.52
- 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).
- 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 | 1.0631 | Relay (1.0) Calculated Property | |
| ΔfG° | -473.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1220.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.141 | Crippen Calculated Property | |
| McVol | 323.200 | ml/mol | McGowan Calculated Property |
| Pc | 1060.33 | kPa | Joback Calculated Property |
| Inp | [2526.00; 2526.00] |
|
|
| Inp | 2526.00 | NIST | |
| Inp | 2526.00 | NIST | |
| Tboil | 615.40 | K | Relay (1.0) Calculated Property |
| Tc | 801.88 | K | Relay (1.0) Calculated Property |
| Tfus | 318.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.230 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.22; 1138.39] | J/mol×K | [885.89; 1084.76] |
|
| Cp,gas | 1053.22 | J/mol×K | 885.89 | Joback Calculated Property |
| Cp,gas | 1070.44 | J/mol×K | 919.03 | Joback Calculated Property |
| Cp,gas | 1086.42 | J/mol×K | 952.18 | Joback Calculated Property |
| Cp,gas | 1101.18 | J/mol×K | 985.32 | Joback Calculated Property |
| Cp,gas | 1114.75 | J/mol×K | 1018.47 | Joback Calculated Property |
| Cp,gas | 1127.14 | J/mol×K | 1051.61 | Joback Calculated Property |
| Cp,gas | 1138.39 | J/mol×K | 1084.76 | Joback Calculated Property |
| η | [0.0000398; 0.0006604] | Pa×s | [505.68; 885.89] |
|
| η | 0.0006604 | Pa×s | 505.68 | Joback Calculated Property |
| η | 0.0003187 | Pa×s | 569.05 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 632.42 | Joback Calculated Property |
| η | 0.0001105 | Pa×s | 695.78 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 759.15 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 822.52 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 885.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-oxobut-2-yl undecyl ester.
Sources
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