- InChI
- InChI=1S/C23H36N2O5/c1-3-5-6-7-12-18-29-22(27)20-14-9-10-15-24(20)21(26)19-13-8-11-16-25(19)23(28)30-17-4-2/h2,19-20H,3,5-18H2,1H3
- InChI Key
- XSCCQDBJNJVDNV-UHFFFAOYSA-N
- Formula
- C23H36N2O5
- SMILES
-
C#CCOC(=O)N1CCCCC1C(=O)N1CCCCC
1C(=O)OCCCCCCC - Molecular Weight1
- 420.54
- 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 | 0.9338 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -877.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.505 | Crippen Calculated Property | |
| McVol | 341.020 | ml/mol | McGowan Calculated Property |
| Pc | 738.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2952.00; 2952.00] |
|
|
| Inp | 2952.00 | NIST | |
| Inp | 2952.00 | NIST | |
| Tboil | 711.96 | K | Relay (1.0) Calculated Property |
| Tc | 947.20 | K | Relay (1.0) Calculated Property |
| Tfus | 362.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-propargyloxycarbonyl-, heptyl 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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