- InChI
- InChI=1S/C8H11ClN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)
- InChI Key
- KHWIRCOLWPNBJP-UHFFFAOYSA-N
- Formula
- C8H11ClN4O4
- SMILES
- O=NN(CCCl)C(=O)NC1CCC(=O)NC1=O
- Molecular Weight1
- 262.65
- CAS
- 13909-02-9
- Other Names
-
- N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea
- NSC-95,466
- NSC-95466
- PCNU
- Urea, 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-
- 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
- 3-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)-2,6-piperidinedione
- 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 | 0.8420 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -485.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.277 | Crippen Calculated Property | |
| McVol | 171.160 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Tboil | 609.63 | K | Relay (1.0) Calculated Property |
| Tc | 924.10 | K | Relay (1.0) Calculated Property |
| Tfus | 423.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso-.
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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