- InChI
- InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3
- InChI Key
- FMKCDSXOYLTWBR-UHFFFAOYSA-N
- Formula
- C8H14O3
- SMILES
- CCC(=O)OCC1CCCO1
- Molecular Weight1
- 158.19
- CAS
- 637-65-0
- Other Names
-
- 2-Furanmethanol, tetrahydro-, propanoate
- 2-Furanemethanol, tetrahydro-, propanoate
- Tetrahydrofurfuryl alcohol propionate
- Tetrahydrofurfuryl propionate
- 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.
- I : Polar retention indices.
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -579.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.49 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.119 | Crippen Calculated Property | |
| McVol | 126.030 | ml/mol | McGowan Calculated Property |
| Inp | 1153.00 | NIST | |
| I | 1632.00 | NIST | |
| Tboil | 478.70 | K | NIST |
| Tfus | 212.97 | 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 | [288.64; 367.59] | J/mol×K | [483.09; 682.74] | 
|
| Cp,gas | 288.64 | J/mol×K | 483.09 | Joback Calculated Property |
| Cp,gas | 303.64 | J/mol×K | 516.36 | Joback Calculated Property |
| Cp,gas | 317.89 | J/mol×K | 549.64 | Joback Calculated Property |
| Cp,gas | 331.40 | J/mol×K | 582.91 | Joback Calculated Property |
| Cp,gas | 344.18 | J/mol×K | 616.19 | Joback Calculated Property |
| Cp,gas | 356.24 | J/mol×K | 649.46 | Joback Calculated Property |
| Cp,gas | 367.59 | J/mol×K | 682.74 | Joback Calculated Property |
| η | [0.0003277; 0.0055691] | Pa×s | [259.72; 483.09] |
|
| η | 0.0055691 | Pa×s | 259.72 | Joback Calculated Property |
| η | 0.0025835 | Pa×s | 296.95 | Joback Calculated Property |
| η | 0.0014222 | Pa×s | 334.18 | Joback Calculated Property |
| η | 0.0008824 | Pa×s | 371.40 | Joback Calculated Property |
| η | 0.0005972 | Pa×s | 408.63 | Joback Calculated Property |
| η | 0.0004315 | Pa×s | 445.86 | Joback Calculated Property |
| η | 0.0003277 | Pa×s | 483.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to n-Butyric 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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