- InChI
- InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-5-7-12(8-6-11)14(3,4)16-10-18/h5-8H,1-4H3
- InChI Key
- AGJCSCSSMFRMFQ-UHFFFAOYSA-N
- Formula
- C14H16N2O2
- SMILES
-
CC(C)(N=C=O)c1ccc(C(C)(C)N=C=O
)cc1 - Molecular Weight1
- 244.29
- CAS
- 2778-41-8
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -135.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.17 | kJ/mol | Joback Calculated Property |
| log10WS | -12.08 | Crippen Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 198.860 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Tboil | 678.26 | K | Joback Calculated Property |
| Tc | 909.46 | K | Joback Calculated Property |
| Tfus | 353.00 ± 2.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 415.00 | J/mol×K | 333.00 | NIST |
| ΔvapH | 74.00 | kJ/mol | 400.50 | NIST |
Similar Compounds
Find more compounds similar to 1,4-bis(1-isocyanato-1-methylethyl)benzene.
Sources
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