- InChI
- InChI=1S/C27H51NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-26(29)25-21-20-22-28(25)27(30)32-23-6-4-2/h25H,3-24H2,1-2H3
- InChI Key
- RFDMRPNDKWTTBI-UHFFFAOYSA-N
- Formula
- C27H51NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C1CCCN1
C(=O)OCCCC - Molecular Weight1
- 453.70
- 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 | 1.2352 | Relay (... Calculated Property | |
| ΔfG° | -193.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1130.68 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -6.93 | Relay (... Calculated Property | |
| logPoct/wat | 7.802 | Crippen Calculated Property | |
| McVol | 405.290 | ml/mol | McGowan Calculated Property |
| Pc | 521.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3059.00; 3059.00] |
|
|
| Inp | 3059.00 | NIST | |
| Inp | 3059.00 | NIST | |
| Tboil | 680.78 | K | Relay (... Calculated Property |
| Tc | 887.86 | K | Relay (... Calculated Property |
| Tfus | 312.85 | K | Relay (... Calculated Property |
| Vc | 1.541 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, n-butoxycarbonyl-, heptadecyl 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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