- InChI
- InChI=1S/C12H22O3/c1-5-7-9(3)11(13)15-12(14)10(4)8-6-2/h9-10H,5-8H2,1-4H3
- InChI Key
- NCYCWNILADFMPI-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CCCC(C)C(=O)OC(=O)C(C)CCC
- Molecular Weight1
- 214.30
- CAS
- 63169-61-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -317.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 2.929 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | 1347.50 | NIST | |
| Tboil | 603.24 | K | Joback Calculated Property |
| Tc | 787.29 | K | Joback Calculated Property |
| Tfus | 317.09 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.53; 571.15] | J/mol×K | [603.24; 787.29] | 
|
| Cp,gas | 489.53 | J/mol×K | 603.24 | Joback Calculated Property |
| Cp,gas | 504.88 | J/mol×K | 633.91 | Joback Calculated Property |
| Cp,gas | 519.51 | J/mol×K | 664.59 | Joback Calculated Property |
| Cp,gas | 533.45 | J/mol×K | 695.26 | Joback Calculated Property |
| Cp,gas | 546.69 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 756.61 | Joback Calculated Property |
| Cp,gas | 571.15 | J/mol×K | 787.29 | Joback Calculated Property |
| η | [0.0001688; 0.0040877] | Pa×s | [317.09; 603.24] |
|
| η | 0.0040877 | Pa×s | 317.09 | Joback Calculated Property |
| η | 0.0016982 | Pa×s | 364.78 | Joback Calculated Property |
| η | 0.0008644 | Pa×s | 412.47 | Joback Calculated Property |
| η | 0.0005061 | Pa×s | 460.17 | Joback Calculated Property |
| η | 0.0003276 | Pa×s | 507.86 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 555.55 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 603.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-methyl-, anhydride.
Sources
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