- InChI
- InChI=1S/C6H10O3/c7-5-8-4-6-2-1-3-9-6/h5-6H,1-4H2
- InChI Key
- OJMXDPYZLDLHCF-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- O=COCC1CCCO1
- Molecular Weight1
- 130.14
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔfH°gas | -475.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.338 | Crippen Calculated Property | |
| McVol | 97.850 | ml/mol | McGowan Calculated Property |
| Inp | 1014.00 | NIST | |
| Tboil | 456.79 | K | Relay (1.0) Calculated Property |
| Tfus | 222.14 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.72; 323.67] | 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 | -4.07290e+01 | |||
| Coefficient B | 7.50800e-01 | |||
| Coefficient C | -5.28900e-04 | |||
| Coefficient D | 1.42500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 249.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 269.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 286.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 300.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 313.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028728; 0.0005705] | Pa×s | [253.55; 446.40] |
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 | -9.59437e+00 | |||
| Coefficient B | 9.48760e+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. | 253.55 | |||
| Temperature range, max. | 446.40 | |||
| η | 0.0028728 | Pa×s | 253.55 | Calculated Property |
| η | 0.0021462 | Pa×s | 274.98 | Calculated Property |
| η | 0.0016724 | Pa×s | 296.41 | Calculated Property |
| η | 0.0013478 | Pa×s | 317.83 | Calculated Property |
| η | 0.0011162 | Pa×s | 339.26 | Calculated Property |
| η | 0.0009453 | Pa×s | 360.69 | Calculated Property |
| η | 0.0008157 | Pa×s | 382.12 | Calculated Property |
| η | 0.0007149 | Pa×s | 403.55 | Calculated Property |
| η | 0.0006350 | Pa×s | 424.98 | Calculated Property |
| η | 0.0005705 | Pa×s | 446.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, tetrahydrofurfuryl ester.
Sources
- Cheméo Relay (1.0)
- 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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