- 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
- 130.18
- CAS
- 3780-58-3
- Other Names
-
- 3-methylcaproic 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° | -260.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.61 | Crippen Calculated Property | |
| logPoct/wat | 1.897 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| I | [1869.00; 1869.00] |
|
|
| I | 1869.00 | NIST | |
| I | 1869.00 | NIST | |
| Tboil | 505.17 | K | Joback Calculated Property |
| Tc | 678.63 | K | Joback Calculated Property |
| Tfus | 264.40 | K | Joback Calculated Property |
| Vc | 0.447 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.80; 320.81] | J/mol×K | [505.17; 678.63] |
|
| Cp,gas | 265.80 | J/mol×K | 505.17 | Joback Calculated Property |
| Cp,gas | 276.01 | J/mol×K | 534.08 | Joback Calculated Property |
| Cp,gas | 285.78 | J/mol×K | 562.99 | Joback Calculated Property |
| Cp,gas | 295.14 | J/mol×K | 591.90 | Joback Calculated Property |
| Cp,gas | 304.09 | J/mol×K | 620.81 | Joback Calculated Property |
| Cp,gas | 312.64 | J/mol×K | 649.72 | Joback Calculated Property |
| Cp,gas | 320.81 | J/mol×K | 678.63 | Joback Calculated Property |
| η | [0.0001662; 0.0353274] | Pa×s | [264.40; 505.17] |
|
| η | 0.0353274 | Pa×s | 264.40 | Joback Calculated Property |
| η | 0.0080276 | Pa×s | 304.53 | Joback Calculated Property |
| η | 0.0025758 | Pa×s | 344.66 | Joback Calculated Property |
| η | 0.0010476 | Pa×s | 384.78 | Joback Calculated Property |
| η | 0.0005050 | Pa×s | 424.91 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 465.04 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 505.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl hexanoic acid.
Sources
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