- InChI
- InChI=1S/C9H18N2O4/c1-6(2)8(9(12)14-5)11(13)10-15-7(3)4/h6-8H,1-5H3/b11-10-
- InChI Key
- XSZJBNBXQSOURW-KHPPLWFESA-N
- Formula
- C9H18N2O4
- SMILES
-
COC(=O)C(C(C)C)[N+]([O-])=NOC(
C)C - Molecular Weight1
- 218.25
- 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 | 0.5958 | Relay (... Calculated Property | |
| ΔfG° | -10.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -444.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -2.15 | Relay (... Calculated Property | |
| logPoct/wat | 1.486 | Crippen Calculated Property | |
| McVol | 172.510 | ml/mol | McGowan Calculated Property |
| Pc | 1952.83 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1409.00; 1409.00] |
|
|
| Inp | 1409.00 | NIST | |
| Inp | 1409.00 | NIST | |
| Tboil | 475.47 | K | Relay (... Calculated Property |
| Tc | 688.07 | K | Relay (... Calculated Property |
| Tfus | 300.18 | K | Relay (... Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(1-Methoxycarbonyl-2-methylpropyl)-2-isopropoxydiazen-1-oxide.
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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