- InChI
- InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
- InChI Key
- AAQDYYFAFXGBFZ-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- CC(=O)OCC1CCCO1
- Molecular Weight1
- 144.17
- CAS
- 637-64-9
- Other Names
-
- Furfuryl alcohol, tetrahydro-, acetate
- Tetrahydrofurfuryl acetate
- 2-Acetoxymethyloxolane
- Tetrahydro-2-furanmethanol acetate
- Tetrahydro-2-furanmethyl acetate
- Acetic acid, tetrahydrofurfuryl ester
- 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 | -564.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.729 | Crippen Calculated Property | |
| McVol | 111.940 | ml/mol | McGowan Calculated Property |
| Inp | [1055.00; 1098.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Tboil | 471.62 | K | Relay (1.0) Calculated Property |
| Tfus | 211.53 | 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 | [154.45; 391.39] | 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 | -2.12290e+01 | |||
| Coefficient B | 7.42720e-01 | |||
| Coefficient C | -3.75900e-04 | |||
| Coefficient D | 4.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 196.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 234.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 267.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 297.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 323.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 345.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 364.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 391.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055974; 0.0003414] | Pa×s | [248.45; 463.70] |
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 | -1.12110e+01 | |||
| Coefficient B | 1.49705e+03 | |||
| 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. | 248.45 | |||
| Temperature range, max. | 463.70 | |||
| η | 0.0055974 | Pa×s | 248.45 | Calculated Property |
| η | 0.0032976 | Pa×s | 272.37 | Calculated Property |
| η | 0.0021159 | Pa×s | 296.28 | Calculated Property |
| η | 0.0014508 | Pa×s | 320.20 | Calculated Property |
| η | 0.0010483 | Pa×s | 344.12 | Calculated Property |
| η | 0.0007901 | Pa×s | 368.04 | Calculated Property |
| η | 0.0006164 | Pa×s | 391.95 | Calculated Property |
| η | 0.0004949 | Pa×s | 415.87 | Calculated Property |
| η | 0.0004069 | Pa×s | 439.79 | Calculated Property |
| η | 0.0003414 | Pa×s | 463.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furanmethanol, tetrahydro-, acetate.
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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