- InChI
- InChI=1S/C25H33NO5/c1-4-5-6-7-8-9-12-18-29-24(27)20-14-13-15-21(26-20)25(28)31-23-17-11-10-16-22(23)30-19(2)3/h10-11,13-17,19H,4-9,12,18H2,1-3H3
- InChI Key
- NGUFINCNUIQCFP-UHFFFAOYSA-N
- Formula
- C25H33NO5
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccccc2OC(C)C)n1 - Molecular Weight1
- 427.53
- 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 | 1.1681 | Relay (1.0) Calculated Property | |
| ΔfG° | -241.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -817.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.995 | Crippen Calculated Property | |
| McVol | 346.320 | ml/mol | McGowan Calculated Property |
| Pc | 847.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3045.00 | NIST | |
| Tboil | 702.24 | K | Relay (1.0) Calculated Property |
| Tc | 945.33 | K | Relay (1.0) Calculated Property |
| Tfus | 339.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-isopropoxyphenyl nonyl 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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