- InChI
- InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-27-23(25)17-14-15-18-24(26)28-21-19-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- ADMOHEWUVQPUMN-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OC
CC(C)C - Molecular Weight1
- 398.62
- 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° | -319.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.94 | kJ/mol | Joback Calculated Property |
| log10WS | -7.35 | Crippen Calculated Property | |
| logPoct/wat | 6.990 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 853.96 | kPa | Joback Calculated Property |
| Inp | [2697.00; 2697.00] |
|
|
| Inp | 2697.00 | NIST | |
| Inp | 2697.00 | NIST | |
| Tboil | 900.66 | K | Joback Calculated Property |
| Tc | 1103.57 | K | Joback Calculated Property |
| Tfus | 489.56 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.00; 1318.20] | J/mol×K | [900.66; 1103.57] |
|
| Cp,gas | 1218.00 | J/mol×K | 900.66 | Joback Calculated Property |
| Cp,gas | 1238.11 | J/mol×K | 934.48 | Joback Calculated Property |
| Cp,gas | 1256.81 | J/mol×K | 968.30 | Joback Calculated Property |
| Cp,gas | 1274.13 | J/mol×K | 1002.12 | Joback Calculated Property |
| Cp,gas | 1290.12 | J/mol×K | 1035.94 | Joback Calculated Property |
| Cp,gas | 1304.80 | J/mol×K | 1069.75 | Joback Calculated Property |
| Cp,gas | 1318.20 | J/mol×K | 1103.57 | Joback Calculated Property |
| η | [0.0000269; 0.0006076] | Pa×s | [489.56; 900.66] |
|
| η | 0.0006076 | Pa×s | 489.56 | Joback Calculated Property |
| η | 0.0002626 | Pa×s | 558.08 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 626.59 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 695.11 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 763.63 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 832.14 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 900.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbutyl tridecyl ester.
Sources
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