- InChI
- InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2
- InChI Key
- RTTZISZSHSCFRH-UHFFFAOYSA-N
- Formula
- C10H8N2O2
- SMILES
- O=C=NCc1cccc(CN=C=O)c1
- Molecular Weight1
- 188.18
- CAS
- 3634-83-1
- Other Names
-
- Benzene, 1,3-bis(isocyanatomethyl)-
- Isocyanic acid, m-phenylenedimethylene ester
- 1,3-Bis(isocyanatomethyl)benzene
- 1,3-Bis-(isokyanatomethyl)benzen
- m-Phenylenedimethylene isocyanate
- Takenate
- Takenate 500
- M-Xdi
- m-Xylene diisocyanate
- m-Xylidene diisocyanate
- m-Xylylendiisokyanat
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.86 | kJ/mol | Joback Calculated Property |
| log10WS | -11.06 | Crippen Calculated Property | |
| logPoct/wat | 1.358 | Crippen Calculated Property | |
| McVol | 142.500 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 593.20 | K | Joback Calculated Property |
| Tc | 815.17 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 46.70 | kJ/mol | 438.00 | NIST |
Similar Compounds
Find more compounds similar to m-Xylylene diisocyanate.
Sources
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