![Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-](/cid/30-414-8/Uracil-1-p-3-2-chloroethyl-ureido-benzyl.png "Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-")
- InChI
- InChI=1S/C14H15ClN4O3/c15-6-7-16-13(21)17-11-3-1-10(2-4-11)9-19-8-5-12(20)18-14(19)22/h1-5,8H,6-7,9H2,(H2,16,17,21)(H,18,20,22)
- InChI Key
- BJODATBVEVQHPA-UHFFFAOYSA-N
- Formula
- C14H15ClN4O3
- SMILES
-
O=C(NCCCl)Nc1ccc(Cn2ccc(=O)[nH
]c2=O)cc1 - Molecular Weight1
- 322.75
- 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 | 0.9279 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -369.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 153.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.463 | Crippen Calculated Property | |
| McVol | 226.070 | ml/mol | McGowan Calculated Property |
| Pc | 3769.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 694.03 | K | Relay (1.0) Calculated Property |
| Tc | 1063.64 | K | Relay (1.0) Calculated Property |
| Tfus | 429.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-.
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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