- InChI
- InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-31-26(29)22-19-20-23-27(30)32-25(2)28(3,4)5/h25H,6-24H2,1-5H3
- InChI Key
- KGPBKLSBLAPDGO-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O
)OC(C)C(C)(C)C - Molecular Weight1
- 454.73
- 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 | 1.2243 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1254.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.549 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 697.28 | kPa | Joback Calculated Property |
| Inp | [3005.00; 3005.00] |
|
|
| Inp | 3005.00 | NIST | |
| Inp | 3005.00 | NIST | |
| Tboil | 656.37 | K | Relay (1.0) Calculated Property |
| Tc | 836.31 | K | Relay (1.0) Calculated Property |
| Tfus | 312.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.43; 1581.62] | J/mol×K | [988.95; 1220.27] |
|
| Cp,gas | 1474.43 | J/mol×K | 988.95 | Joback Calculated Property |
| Cp,gas | 1496.42 | J/mol×K | 1027.50 | Joback Calculated Property |
| Cp,gas | 1516.64 | J/mol×K | 1066.06 | Joback Calculated Property |
| Cp,gas | 1535.17 | J/mol×K | 1104.61 | Joback Calculated Property |
| Cp,gas | 1552.12 | J/mol×K | 1143.16 | Joback Calculated Property |
| Cp,gas | 1567.57 | J/mol×K | 1181.71 | Joback Calculated Property |
| Cp,gas | 1581.62 | J/mol×K | 1220.27 | Joback Calculated Property |
| η | [0.0000109; 0.0003161] | Pa×s | [537.06; 988.95] |
|
| η | 0.0003161 | Pa×s | 537.06 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 612.38 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 687.69 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 763.00 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 838.32 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 913.63 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 988.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl hexadecyl ester.
Sources
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