- InChI
- InChI=1S/C8H16O2/c1-4-8(5-2,6-3)10-7-9/h7H,4-6H2,1-3H3
- InChI Key
- FDNBSOFNQQDCAE-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(CC)(CC)OC=O
- Molecular Weight1
- 144.21
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -512.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Inp | [972.00; 972.00] |
|
|
| Inp | 972.00 | NIST | |
| Inp | 972.00 | NIST | |
| Tboil | 439.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [270.39; 338.45] | J/mol×K | [436.93; 616.47] |
|
| Cp,gas | 270.39 | J/mol×K | 436.93 | Joback Calculated Property |
| Cp,gas | 283.44 | J/mol×K | 466.85 | Joback Calculated Property |
| Cp,gas | 295.76 | J/mol×K | 496.78 | Joback Calculated Property |
| Cp,gas | 307.39 | J/mol×K | 526.70 | Joback Calculated Property |
| Cp,gas | 318.36 | J/mol×K | 556.62 | Joback Calculated Property |
| Cp,gas | 328.70 | J/mol×K | 586.55 | Joback Calculated Property |
| Cp,gas | 338.45 | J/mol×K | 616.47 | Joback Calculated Property |
| η | [0.0004073; 0.0040870] | Pa×s | [241.04; 436.93] |
|
| η | 0.0040870 | Pa×s | 241.04 | Joback Calculated Property |
| η | 0.0022127 | Pa×s | 273.69 | Joback Calculated Property |
| η | 0.0013653 | Pa×s | 306.34 | Joback Calculated Property |
| η | 0.0009246 | Pa×s | 338.99 | Joback Calculated Property |
| η | 0.0006705 | Pa×s | 371.63 | Joback Calculated Property |
| η | 0.0005121 | Pa×s | 404.28 | Joback Calculated Property |
| η | 0.0004073 | Pa×s | 436.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-ethylpent-3-yl 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
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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