- InChI
- InChI=1S/C25H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24(27)19-20-26-25(28)23-18-17-22-29-23/h17-18,22H,2-16,19-21H2,1H3,(H,26,28)
- InChI Key
- BGBLTVASSVDPRL-UHFFFAOYSA-N
- Formula
- C25H43NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCNC(=O
)c1ccco1 - Molecular Weight1
- 421.61
- 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).
- 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 | 1.2401 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -922.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.814 | Crippen Calculated Property | |
| McVol | 368.510 | ml/mol | McGowan Calculated Property |
| Pc | 833.49 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 688.20 | K | Relay (1.0) Calculated Property |
| Tc | 897.43 | K | Relay (1.0) Calculated Property |
| Tfus | 348.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.412 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(2-furoyl)-, 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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