- InChI
- InChI=1S/C21H32N2O5/c1-3-5-10-16-27-20(25)18-12-7-8-13-22(18)19(24)17-11-6-9-14-23(17)21(26)28-15-4-2/h2,17-18H,3,5-16H2,1H3
- InChI Key
- VFPKOJKJIRVQJZ-UHFFFAOYSA-N
- Formula
- C21H32N2O5
- SMILES
-
C#CCOC(=O)N1CCCCC1C(=O)N1CCCCC
1C(=O)OCCCCC - Molecular Weight1
- 392.49
- 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 | 0.8564 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -835.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.725 | Crippen Calculated Property | |
| McVol | 312.840 | ml/mol | McGowan Calculated Property |
| Pc | 938.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2766.00; 2766.00] |
|
|
| Inp | 2766.00 | NIST | |
| Inp | 2766.00 | NIST | |
| Tboil | 697.25 | K | Relay (1.0) Calculated Property |
| Tc | 932.72 | K | Relay (1.0) Calculated Property |
| Tfus | 364.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.096 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-propargyloxycarbonyl-, pentyl 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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