- InChI
- InChI=1S/C11H22O2/c1-4-9(5-2)7-8-10(6-3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
- InChI Key
- XQWMZYYVMUUGRU-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCC(CC)CCC(CC)C(=O)O
- Molecular Weight1
- 186.29
- CAS
- 54774-84-4
- Other Names
-
- 2,5-Diethylheptanoic acid
- 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).
- I : 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° | -228.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 3.314 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| I | [2001.00; 2001.00] |
|
|
| I | 2001.00 | NIST | |
| I | 2001.00 | NIST | |
| Tboil | 596.25 | K | Joback Calculated Property |
| Tc | 767.88 | K | Joback Calculated Property |
| Tfus | 294.48 | K | Joback Calculated Property |
| Vc | 0.664 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.78; 525.85] | J/mol×K | [596.25; 767.88] |
|
| Cp,gas | 452.78 | J/mol×K | 596.25 | Joback Calculated Property |
| Cp,gas | 466.41 | J/mol×K | 624.86 | Joback Calculated Property |
| Cp,gas | 479.44 | J/mol×K | 653.46 | Joback Calculated Property |
| Cp,gas | 491.88 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 503.75 | J/mol×K | 710.67 | Joback Calculated Property |
| Cp,gas | 515.07 | J/mol×K | 739.28 | Joback Calculated Property |
| Cp,gas | 525.85 | J/mol×K | 767.88 | Joback Calculated Property |
| η | [0.0000765; 0.0258374] | Pa×s | [294.48; 596.25] |
|
| η | 0.0258374 | Pa×s | 294.48 | Joback Calculated Property |
| η | 0.0048244 | Pa×s | 344.78 | Joback Calculated Property |
| η | 0.0013810 | Pa×s | 395.07 | Joback Calculated Property |
| η | 0.0005244 | Pa×s | 445.37 | Joback Calculated Property |
| η | 0.0002424 | Pa×s | 495.66 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 545.95 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 596.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2,5-diethyl-.
Sources
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