- InChI
- InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
- InChI Key
- DUEPRVBVGDRKAG-UHFFFAOYSA-N
- Formula
- C12H15NO3
- SMILES
- CNC(=O)Oc1cccc2c1OC(C)(C)C2
- Molecular Weight1
- 221.25
- CAS
- 1563-66-2
- Other Names
-
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
- 2,2-Dimethyl-2,2-dihydrobenzofuranyl-7 N-methylcarbamate
- 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate
- 2,2-Dimethyl-2,3-dihydrobenzoduranyl-7-N-methylcarbamate
- 2,2-Dimethyl-7-Coumaranyl N-methylcarbamate
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate
- 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate
- 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate
- 7-Benzofurano, 2,3-dihydro-2,2-dimethyl, methylcarbamate
- 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)
- 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate
- BAY 70143
- BAY 78537
- Benzofuran-7-ol, 2,3-dihydro, 2,2-dimethyl, N-methylcarbamate
- C2292-59a
- Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester
- Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester
- Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- Carbodan
- Carbofurane
- Chinufur
- Crisfuran
- Curaterr
- D 1221
- ENT 27,164
- FMC 10242
- Furacarb
- Furadan
- Furadan 3G
- Furadan 4F
- Furadan 75 WP
- Furadan G
- Furadane
- Karbofuranu
- Me f248
- Methyl carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- NA 2757
- NIA 10242
- Niagara 10242
- Niagara nia-10242
- OMS 864
- Rampart
- Yaltox
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfusH° | 29.38 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.80; -1.38] |
|
|
| log10WS | -1.38 | Aq. Solubility Prediction | |
| log10WS | -2.80 | Estimated Solubility | |
| log10WS | -2.50 | Rytting (2005) | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Inp | [1678.00; 1743.00] |
|
|
| Inp | 1678.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Tfus | [424.40; 426.38] | K |
|
| Tfus | 424.40 | K | Aq. Solubility Prediction |
| Tfus | 426.38 ± 0.20 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.19; 528.03] | J/mol×K | [653.12; 878.66] |
|
| Cp,gas | 452.19 | J/mol×K | 653.12 | Joback Calculated Property |
| Cp,gas | 466.38 | J/mol×K | 690.71 | Joback Calculated Property |
| Cp,gas | 479.77 | J/mol×K | 728.30 | Joback Calculated Property |
| Cp,gas | 492.48 | J/mol×K | 765.89 | Joback Calculated Property |
| Cp,gas | 504.67 | J/mol×K | 803.48 | Joback Calculated Property |
| Cp,gas | 516.47 | J/mol×K | 841.07 | Joback Calculated Property |
| Cp,gas | 528.03 | J/mol×K | 878.66 | Joback Calculated Property |
| ΔfusH | 30.33 | kJ/mol | 426.20 | NIST |
Similar Compounds
Find more compounds similar to Carbofuran.
Sources
- 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
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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