- InChI
- InChI=1S/C10H10O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,11H,1-2H3
- InChI Key
- XLZCZWCXCBPEJR-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- CC1(C)Oc2c(O)cccc2C1=O
- Molecular Weight1
- 178.18
- CAS
- 17781-16-7
- Other Names
-
- 3-Ketocarbofuran phenol
- Carbofuran 3-keto 7-phenol
- 7-Hydroxy-2,2-dimethyl-1-benzofuran-3(2H)-one
- 2,3-Dihydro-7-hydroxy-2,2-dimethyl-3-ketobenzofuran
- 3-Ketocarbofuran-7-ol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6018 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.746 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Tboil | 527.21 | K | Relay (1.0) Calculated Property |
| Tc | 809.30 | K | Relay (1.0) Calculated Property |
| Tfus | 397.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.48; 412.10] | J/mol×K | [642.23; 899.29] | 
|
| Cp,gas | 343.48 | J/mol×K | 642.23 | Joback Calculated Property |
| Cp,gas | 355.69 | J/mol×K | 685.07 | Joback Calculated Property |
| Cp,gas | 367.26 | J/mol×K | 727.92 | Joback Calculated Property |
| Cp,gas | 378.45 | J/mol×K | 770.76 | Joback Calculated Property |
| Cp,gas | 389.48 | J/mol×K | 813.61 | Joback Calculated Property |
| Cp,gas | 400.62 | J/mol×K | 856.45 | Joback Calculated Property |
| Cp,gas | 412.10 | J/mol×K | 899.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl-.
Sources
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