- InChI
- InChI=1S/C30H51NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-26-35-30(33)28-24-22-23-27(31-28)29(32)34-25-20-8-6-4-2/h22-24H,3-21,25-26H2,1-2H3
- InChI Key
- JTQUGMJKXOTXTM-UHFFFAOYSA-N
- Formula
- C30H51NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccc(
C(=O)OCCCCCC)n1 - Molecular Weight1
- 489.73
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.4184 | Relay (... Calculated Property | |
| ΔfG° | -156.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1025.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 136.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -8.48 | Relay (... Calculated Property | |
| logPoct/wat | 8.847 | Crippen Calculated Property | |
| McVol | 434.660 | ml/mol | McGowan Calculated Property |
| Pc | 556.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3361.00; 3361.00] |
|
|
| Inp | 3361.00 | NIST | |
| Inp | 3361.00 | NIST | |
| Tboil | 717.67 | K | Relay (... Calculated Property |
| Tc | 914.55 | K | Relay (... Calculated Property |
| Tfus | 327.99 | K | Relay (... Calculated Property |
| Vc | 1.671 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, heptadecyl hexyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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