- InChI
- InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-33-28(31)24-21-22-25-29(32)34-27(2)30(3,4)5/h27H,6-26H2,1-5H3
- InChI Key
- GKFBOEOLHJEEDM-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(
=O)OC(C)C(C)(C)C - Molecular Weight1
- 482.78
- 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 | 1.2944 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1294.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.329 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 631.61 | kPa | Joback Calculated Property |
| Inp | [3208.00; 3208.00] |
|
|
| Inp | 3208.00 | NIST | |
| Inp | 3208.00 | NIST | |
| Tboil | 669.69 | K | Relay (1.0) Calculated Property |
| Tc | 849.77 | K | Relay (1.0) Calculated Property |
| Tfus | 317.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.713 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1604.99; 1716.62] | J/mol×K | [1034.71; 1288.59] |
|
| Cp,gas | 1604.99 | J/mol×K | 1034.71 | Joback Calculated Property |
| Cp,gas | 1628.42 | J/mol×K | 1077.02 | Joback Calculated Property |
| Cp,gas | 1649.75 | J/mol×K | 1119.34 | Joback Calculated Property |
| Cp,gas | 1669.10 | J/mol×K | 1161.65 | Joback Calculated Property |
| Cp,gas | 1686.61 | J/mol×K | 1203.97 | Joback Calculated Property |
| Cp,gas | 1702.40 | J/mol×K | 1246.28 | Joback Calculated Property |
| Cp,gas | 1716.62 | J/mol×K | 1288.59 | Joback Calculated Property |
| η | [0.0000078; 0.0002345] | Pa×s | [559.60; 1034.71] |
|
| η | 0.0002345 | Pa×s | 559.60 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 638.78 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 717.97 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 797.15 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 876.34 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 955.52 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 1034.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl octadecyl ester.
Sources
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