- InChI
- InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
- InChI Key
- OVBFMUAFNIIQAL-UHFFFAOYSA-N
- Formula
- C6H8N2O2
- SMILES
- O=C=NCCCCN=C=O
- Molecular Weight1
- 140.14
- CAS
- 4538-37-8
- Other Names
-
- Butane, 1,4-diisocyanato-
- 1,4-Diisocyanatobutane
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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 | -177.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Joback Calculated Property |
| log10WS | -9.33 | Crippen Calculated Property | |
| logPoct/wat | 0.438 | Crippen Calculated Property | |
| McVol | 109.900 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Tboil | 470.02 | K | Joback Calculated Property |
| Tc | 659.16 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 20.76 | kJ/mol | 184.00 | NIST |
Similar Compounds
Find more compounds similar to Tetramethylene diisocyanate.
Sources
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