- InChI
- InChI=1S/C25H23NO5/c27-23(19-10-4-1-5-11-19)26-22(18-31-25(29)21-14-8-3-9-15-21)16-17-30-24(28)20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,27)
- InChI Key
- AAAWGJKZEIQYJT-UHFFFAOYSA-N
- Formula
- C25H23NO5
- SMILES
-
O=C(OCCC(COC(=O)c1ccccc1)N=C(O
)c1ccccc1)c1ccccc1 - Molecular Weight1
- 417.45
- CAS
- 10405-09-1
- 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 | 1.0928 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -551.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 161.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.464 | Crippen Calculated Property | |
| McVol | 318.260 | ml/mol | McGowan Calculated Property |
| Pc | 1558.58 | kPa | Joback Calculated Property |
| Tboil | 746.64 | K | Relay (1.0) Calculated Property |
| Tc | 1072.59 | K | Relay (1.0) Calculated Property |
| Tfus | 395.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L (-)-2-benzoylamino-1,4-butanediol dibenzoate.
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
- Joback Method
- McGowan Method
- NIST Webbook
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