- InChI
- InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
- InChI Key
- HBEDSQVIWPRPAY-UHFFFAOYSA-N
- Formula
- C8H8O
- SMILES
- c1ccc2c(c1)CCO2
- Molecular Weight1
- 120.15
- CAS
- 496-16-2
- Other Names
-
- Coumaran
- Dihydrobenzofuran
- Dihydrocoumarone
- Kumaran
- 2,3-Dihydrobenzofuran
- 2,3-Dihydrobenzofurane
- Coumaran (2,3-dihydrobenzofuran)
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -4191.62 ± 0.62 | kJ/mol | NIST |
| ΔfH°gas | -46.50 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -99.78 ± 0.72 | kJ/mol | NIST |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.30; 53.30] | kJ/mol |
|
| ΔvapH° | 53.30 ± 0.06 | kJ/mol | NIST |
| ΔvapH° | 53.30 | kJ/mol | NIST |
| IE | [7.65; 8.40] | eV |
|
| IE | 7.65 | eV | NIST |
| IE | 8.02 | eV | NIST |
| IE | 8.40 | eV | NIST |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 94.830 | ml/mol | McGowan Calculated Property |
| Inp | [175.30; 1237.00] |
|
|
| Inp | 1187.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | Outlier 175.30 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1223.00 | NIST | |
| S°liquid | 226.43 | J/mol×K | NIST |
| Tboil | 461.70 | K | NIST |
| Tfus | 250.89 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 | [187.48; 250.74] | J/mol×K | [452.66; 682.03] |
|
| Cp,gas | 187.48 | J/mol×K | 452.66 | Joback Calculated Property |
| Cp,gas | 200.26 | J/mol×K | 490.89 | Joback Calculated Property |
| Cp,gas | 212.06 | J/mol×K | 529.12 | Joback Calculated Property |
| Cp,gas | 222.94 | J/mol×K | 567.35 | Joback Calculated Property |
| Cp,gas | 232.96 | J/mol×K | 605.58 | Joback Calculated Property |
| Cp,gas | 242.21 | J/mol×K | 643.81 | Joback Calculated Property |
| Cp,gas | 250.74 | J/mol×K | 682.03 | Joback Calculated Property |
| Cp,liquid | 188.64 | J/mol×K | 298.15 | NIST |
| η | [0.0004408; 0.0020452] | Pa×s | [267.61; 452.66] |
|
| η | 0.0020452 | Pa×s | 267.61 | Joback Calculated Property |
| η | 0.0013876 | Pa×s | 298.45 | Joback Calculated Property |
| η | 0.0010124 | Pa×s | 329.29 | Joback Calculated Property |
| η | 0.0007796 | Pa×s | 360.13 | Joback Calculated Property |
| η | 0.0006256 | Pa×s | 390.98 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 421.82 | Joback Calculated Property |
| η | 0.0004408 | Pa×s | 452.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Benzofuran, 2,3-dihydro-.
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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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property mean.
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