- InChI
- InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-14-17-20-27-22(25)18-15-16-19-23(26)28-21(2)24(3,4)5/h21H,6-20H2,1-5H3
- InChI Key
- RTZXUXIDDIXZCJ-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCC(=O)OC(
C)C(C)(C)C - Molecular Weight1
- 398.62
- 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 | 1.0836 | Relay (1.0) Calculated Property | |
| ΔfG° | -316.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1176.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.989 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 863.53 | kPa | Joback Calculated Property |
| Inp | 2603.00 | NIST | |
| Tboil | 629.00 | K | Relay (1.0) Calculated Property |
| Tc | 807.62 | K | Relay (1.0) Calculated Property |
| Tfus | 296.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.06; 1318.12] | J/mol×K | [897.43; 1098.73] | 
|
| Cp,gas | 1218.06 | J/mol×K | 897.43 | Joback Calculated Property |
| Cp,gas | 1237.89 | J/mol×K | 930.98 | Joback Calculated Property |
| Cp,gas | 1256.38 | J/mol×K | 964.53 | Joback Calculated Property |
| Cp,gas | 1273.61 | J/mol×K | 998.08 | Joback Calculated Property |
| Cp,gas | 1289.60 | J/mol×K | 1031.63 | Joback Calculated Property |
| Cp,gas | 1304.43 | J/mol×K | 1065.18 | Joback Calculated Property |
| Cp,gas | 1318.12 | J/mol×K | 1098.73 | Joback Calculated Property |
| η | [0.0000209; 0.0005616] | Pa×s | [491.98; 897.43] |
|
| η | 0.0005616 | Pa×s | 491.98 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 559.56 | Joback Calculated Property |
| η | 0.0001168 | Pa×s | 627.13 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 694.71 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 762.28 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 829.86 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 897.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl dodecyl ester.
Sources
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