- InChI
- InChI=1S/C17H25NO4/c1-5-7-13(4)11-22-17(20)15-9-6-8-14(18-15)16(19)21-10-12(2)3/h6,8-9,12-13H,5,7,10-11H2,1-4H3
- InChI Key
- NNPIMAXRPRVLCH-UHFFFAOYSA-N
- Formula
- C17H25NO4
- SMILES
-
CCCC(C)COC(=O)c1cccc(C(=O)OCC(
C)C)n1 - Molecular Weight1
- 307.38
- 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 | 0.8618 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -785.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.487 | Crippen Calculated Property | |
| McVol | 251.490 | ml/mol | McGowan Calculated Property |
| Pc | 1505.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2151.00; 2151.00] |
|
|
| Inp | 2151.00 | NIST | |
| Inp | 2151.00 | NIST | |
| Tboil | 629.11 | K | Relay (1.0) Calculated Property |
| Tc | 812.69 | K | Relay (1.0) Calculated Property |
| Tfus | 279.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, isobutyl 2-methylpentyl 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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