- InChI
- InChI=1S/C9H18O2/c1-7(2)5-4-6-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
- InChI Key
- MDAPKSVKYITQHQ-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(C)CCCC(C)C(=O)O
- Molecular Weight1
- 158.24
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6969 | Relay (1.0) Calculated Property | |
| ΔfG° | -245.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| I | [2012.00; 2012.00] |
|
|
| I | 2012.00 | NIST | |
| I | 2012.00 | NIST | |
| Tboil | 493.02 | K | Relay (1.0) Calculated Property |
| Tc | 675.82 | K | Relay (1.0) Calculated Property |
| Tfus | 250.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.90; 421.50] | J/mol×K | [550.49; 724.45] |
|
| Cp,gas | 355.90 | J/mol×K | 550.49 | Joback Calculated Property |
| Cp,gas | 368.12 | J/mol×K | 579.48 | Joback Calculated Property |
| Cp,gas | 379.81 | J/mol×K | 608.48 | Joback Calculated Property |
| Cp,gas | 390.98 | J/mol×K | 637.47 | Joback Calculated Property |
| Cp,gas | 401.64 | J/mol×K | 666.46 | Joback Calculated Property |
| Cp,gas | 411.80 | J/mol×K | 695.45 | Joback Calculated Property |
| Cp,gas | 421.50 | J/mol×K | 724.45 | Joback Calculated Property |
| η | [0.0001102; 0.0424192] | Pa×s | [271.94; 550.49] |
|
| η | 0.0424192 | Pa×s | 271.94 | Joback Calculated Property |
| η | 0.0076296 | Pa×s | 318.37 | Joback Calculated Property |
| η | 0.0021236 | Pa×s | 364.79 | Joback Calculated Property |
| η | 0.0007890 | Pa×s | 411.22 | Joback Calculated Property |
| η | 0.0003583 | Pa×s | 457.64 | Joback Calculated Property |
| η | 0.0001882 | Pa×s | 504.07 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 550.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-heptanoic acid.
Sources
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