- InChI
- InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
- InChI Key
- WXNZYYXXILQTKX-UHFFFAOYSA-N
- Formula
- C12H13NO4
- SMILES
- CNC(=O)Oc1cccc2c1OC(C)(C)C2=O
- Molecular Weight1
- 235.24
- CAS
- 16709-30-1
- Other Names
-
- Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone
- 3(2H)-Benzofuranone, 2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-
- 3-Ketocarbofuran
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔfG° | -154.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 1.758 | Crippen Calculated Property | |
| McVol | 170.180 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Tboil | 738.81 | K | Joback Calculated Property |
| Tc | 976.89 | K | Joback Calculated Property |
| Tfus | 537.91 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.09; 556.77] | J/mol×K | [738.81; 976.89] | 
|
| Cp,gas | 480.09 | J/mol×K | 738.81 | Joback Calculated Property |
| Cp,gas | 493.79 | J/mol×K | 778.49 | Joback Calculated Property |
| Cp,gas | 506.97 | J/mol×K | 818.17 | Joback Calculated Property |
| Cp,gas | 519.73 | J/mol×K | 857.85 | Joback Calculated Property |
| Cp,gas | 532.20 | J/mol×K | 897.53 | Joback Calculated Property |
| Cp,gas | 544.50 | J/mol×K | 937.21 | Joback Calculated Property |
| Cp,gas | 556.77 | J/mol×K | 976.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbofuran 3-keto.
Sources
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