- InChI
- InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
- InChI Key
- YIDSTEJLDQMWBR-UHFFFAOYSA-N
- Formula
- C13H25NO
- SMILES
- CCCCCCCCCCCCN=C=O
- Molecular Weight1
- 211.34
- CAS
- 4202-38-4
- Other Names
-
- Dodecyl isocyanate
- 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 | 0.7121 | Relay (... Calculated Property | |
| ΔfG° | 68.18 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -351.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -5.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.243 | Crippen Calculated Property | |
| McVol | 201.280 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Tboil | 533.45 | K | Relay (... Calculated Property |
| Tc | 704.69 | K | Relay (... Calculated Property |
| Tfus | 291.89 | K | Relay (... Calculated Property |
| Vc | 0.779 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 1-isocyanato-.
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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