- InChI
- InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
- InChI Key
- NZQMQVJXSRMTCJ-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCCC(C)CC(=O)O
- Molecular Weight1
- 130.19
- Other Names
-
- 3-methylcaproic acid
- 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 | 0.6679 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.897 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| I | [1869.00; 1869.00] |
|
|
| I | 1869.00 | NIST | |
| I | 1869.00 | NIST | |
| Tboil | 465.39 | K | Relay (1.0) Calculated Property |
| Tc | 662.92 | K | Relay (1.0) Calculated Property |
| Tfus | 239.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.23; 328.29] | J/mol×K | [504.83; 695.80] |
|
| Cp,gas | 268.23 | J/mol×K | 504.83 | Joback Calculated Property |
| Cp,gas | 279.56 | J/mol×K | 536.66 | Joback Calculated Property |
| Cp,gas | 290.33 | J/mol×K | 568.49 | Joback Calculated Property |
| Cp,gas | 300.57 | J/mol×K | 600.31 | Joback Calculated Property |
| Cp,gas | 310.30 | J/mol×K | 632.14 | Joback Calculated Property |
| Cp,gas | 319.53 | J/mol×K | 663.97 | Joback Calculated Property |
| Cp,gas | 328.29 | J/mol×K | 695.80 | Joback Calculated Property |
| η | [0.0002638; 0.0022284] | Pa×s | [314.25; 504.83] |
|
| η | 0.0022284 | Pa×s | 314.25 | Joback Calculated Property |
| η | 0.0013263 | Pa×s | 346.01 | Joback Calculated Property |
| η | 0.0008614 | Pa×s | 377.78 | Joback Calculated Property |
| η | 0.0005981 | Pa×s | 409.54 | Joback Calculated Property |
| η | 0.0004378 | Pa×s | 441.30 | Joback Calculated Property |
| η | 0.0003341 | Pa×s | 473.07 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 504.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl hexanoic acid.
Sources
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