- 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.
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.43; 319.14] | J/mol×K | [460.21; 662.43] |
|
| Cp,gas | 245.43 | J/mol×K | 460.21 | Joback Calculated Property |
| Cp,gas | 259.43 | J/mol×K | 493.91 | Joback Calculated Property |
| Cp,gas | 272.73 | J/mol×K | 527.62 | Joback Calculated Property |
| Cp,gas | 285.34 | J/mol×K | 561.32 | Joback Calculated Property |
| Cp,gas | 297.27 | J/mol×K | 595.03 | Joback Calculated Property |
| Cp,gas | 308.53 | J/mol×K | 628.73 | Joback Calculated Property |
| Cp,gas | 319.14 | J/mol×K | 662.43 | Joback Calculated Property |
| η | [0.0003498; 0.0055974] | Pa×s | [248.45; 460.21] |
|
| η | 0.0055974 | Pa×s | 248.45 | Joback Calculated Property |
| η | 0.0026454 | Pa×s | 283.74 | Joback Calculated Property |
| η | 0.0014757 | Pa×s | 319.04 | Joback Calculated Property |
| η | 0.0009247 | Pa×s | 354.33 | Joback Calculated Property |
| η | 0.0006307 | Pa×s | 389.62 | Joback Calculated Property |
| η | 0.0004584 | Pa×s | 424.92 | Joback Calculated Property |
| η | 0.0003498 | Pa×s | 460.21 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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