- InChI
- InChI=1S/C10H20O2/c1-5-6-9(4)12-10(11)7-8(2)3/h8-9H,5-7H2,1-4H3
- InChI Key
- DUJBVANUBSYWGF-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCC(C)OC(=O)CC(C)C
- Molecular Weight1
- 172.26
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -601.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Inp | [1059.00; 1060.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Tboil | 404.90 | K | Relay (1.0) Calculated Property |
| Tc | 625.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [362.06; 444.01] | J/mol×K | [485.74; 662.16] |
|
| Cp,gas | 362.06 | J/mol×K | 485.74 | Joback Calculated Property |
| Cp,gas | 377.23 | J/mol×K | 515.14 | Joback Calculated Property |
| Cp,gas | 391.78 | J/mol×K | 544.55 | Joback Calculated Property |
| Cp,gas | 405.73 | J/mol×K | 573.95 | Joback Calculated Property |
| Cp,gas | 419.08 | J/mol×K | 603.35 | Joback Calculated Property |
| Cp,gas | 431.83 | J/mol×K | 632.75 | Joback Calculated Property |
| Cp,gas | 444.01 | J/mol×K | 662.16 | Joback Calculated Property |
| η | [0.0001874; 0.0162083] | Pa×s | [214.79; 485.74] |
|
| η | 0.0162083 | Pa×s | 214.79 | Joback Calculated Property |
| η | 0.0040410 | Pa×s | 259.95 | Joback Calculated Property |
| η | 0.0015199 | Pa×s | 305.11 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 350.26 | Joback Calculated Property |
| η | 0.0004202 | Pa×s | 395.42 | Joback Calculated Property |
| η | 0.0002692 | Pa×s | 440.58 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 485.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanol, 3-methylbutanoate.
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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