- InChI
- InChI=1S/C13H19NO4/c1-2-3-4-9-18-12(15)7-8-14-13(16)11-6-5-10-17-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,16)
- InChI Key
- ADSIWGUADDAHGY-UHFFFAOYSA-N
- Formula
- C13H19NO4
- SMILES
- CCCCCOC(=O)CCNC(=O)c1ccco1
- Molecular Weight1
- 253.29
- 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 | 0.8029 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -667.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 199.430 | ml/mol | McGowan Calculated Property |
| Pc | 2056.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1999.00 | NIST | |
| Tboil | 605.64 | K | Relay (1.0) Calculated Property |
| Tc | 803.08 | K | Relay (1.0) Calculated Property |
| Tfus | 321.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(2-furoyl)-, 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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