- 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).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -32.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.80; -1.38] |
|
|
| log10WS | -1.38 | Aq. Sol... | |
| log10WS | -2.80 | Estimat... | |
| log10WS | -2.50 | Rytting... | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback 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 | 1702.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Tboil | 670.99 | K | Joback Calculated Property |
| Tc | 898.37 | K | Joback Calculated Property |
| Tfus | [424.40; 426.38] | K |
|
| Tfus | 424.40 | K | Aq. Sol... |
| Tfus | 426.38 ± 0.20 | K | NIST |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.84; 532.23] | J/mol×K | [670.99; 898.37] |
|
| Cp,gas | 455.84 | J/mol×K | 670.99 | Joback Calculated Property |
| Cp,gas | 469.83 | J/mol×K | 708.89 | Joback Calculated Property |
| Cp,gas | 483.13 | J/mol×K | 746.78 | Joback Calculated Property |
| Cp,gas | 495.87 | J/mol×K | 784.68 | Joback Calculated Property |
| Cp,gas | 508.21 | J/mol×K | 822.58 | Joback Calculated Property |
| Cp,gas | 520.28 | J/mol×K | 860.47 | Joback Calculated Property |
| Cp,gas | 532.23 | J/mol×K | 898.37 | Joback Calculated Property |
| ΔfusH | 30.33 | kJ/mol | 426.20 | NIST |
Similar Compounds
Find more compounds similar to Carbofuran.
Sources
- 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
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