- InChI
- InChI=1S/C30H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-28(32)26-20-19-21-27(31-26)29(33)35-24-25(2)23-30(3,4)5/h19-21,25H,6-18,22-24H2,1-5H3
- InChI Key
- FZISFGUBPBKSSB-UHFFFAOYSA-N
- Formula
- C30H51NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)OCC(C)CC(C)(C)C)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 | 1.3042 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1055.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.559 | Crippen Calculated Property | |
| McVol | 434.660 | ml/mol | McGowan Calculated Property |
| Pc | 310.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3231.00; 3231.00] |
|
|
| Inp | 3231.00 | NIST | |
| Inp | 3231.00 | NIST | |
| Tboil | 719.89 | K | Relay (1.0) Calculated Property |
| Tc | 915.02 | K | Relay (1.0) Calculated Property |
| Tfus | 319.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.630 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, pentadecyl 2,4,4-trimethylpentyl 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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