- InChI
- InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2
- InChI Key
- JKTCBAGSMQIFNL-UHFFFAOYSA-N
- Formula
- C4H6O
- SMILES
- C1=COCC1
- Molecular Weight1
- 70.09
- Other Names
-
- 4,5-Dihydrofuran
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 866.90 | kJ/mol | NIST |
| BasG | 834.40 | kJ/mol | NIST |
| ΔcH°liquid | -2328.51 ± 0.38 | kJ/mol | NIST |
| ΔfH°gas | -72.25 ± 0.41 | kJ/mol | NIST |
| ΔfH°liquid | -103.02 ± 0.38 | kJ/mol | NIST |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.77; 30.80] | kJ/mol |
|
| ΔvapH° | 30.77 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 30.80 | kJ/mol | NIST |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 57.930 | ml/mol | McGowan Calculated Property |
| Pc | 5390.71 | kPa | Joback Calculated Property |
| Tboil | [327.70; 328.15] | K |
|
| Tboil | 327.70 | K | NIST |
| Tboil | 328.15 ± 3.00 | K | NIST |
| Tc | 535.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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,liquid | 122.10 | J/mol×K | 298.15 | NIST |
| ΔvapH | [28.60; 30.80] | kJ/mol | [281.00; 331.00] |
|
| ΔvapH | 30.80 ± 0.10 | kJ/mol | 281.00 | NIST |
| ΔvapH | 28.60 ± 0.30 | kJ/mol | 331.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [65.73; 190.55] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.20700e+01 | |||
| Coefficient B | 4.83000e-01 | |||
| Coefficient C | -3.49980e-04 | |||
| Coefficient D | 9.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 65.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 89.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 127.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 142.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 155.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 166.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 175.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 183.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 190.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045332; 0.0002454] | Pa×s | [177.31; 376.77] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09052e+01 | |||
| Coefficient B | 9.76780e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 177.31 | |||
| Temperature range, max. | 376.77 | |||
| η | 0.0045332 | Pa×s | 177.31 | Calculated Property |
| η | 0.0024581 | Pa×s | 199.47 | Calculated Property |
| η | 0.0015064 | Pa×s | 221.63 | Calculated Property |
| η | 0.0010091 | Pa×s | 243.80 | Calculated Property |
| η | 0.0007227 | Pa×s | 265.96 | Calculated Property |
| η | 0.0005448 | Pa×s | 288.12 | Calculated Property |
| η | 0.0004277 | Pa×s | 310.28 | Calculated Property |
| η | 0.0003467 | Pa×s | 332.44 | Calculated Property |
| η | 0.0002885 | Pa×s | 354.61 | Calculated Property |
| η | 0.0002454 | Pa×s | 376.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-DIHYDROFURAN.
Sources
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