- InChI
- InChI=1S/C8H16O2/c1-4-7(2)5-6-8(9)10-3/h7H,4-6H2,1-3H3
- InChI Key
- OTOLBWRSIUFKOJ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(C)CCC(=O)OC
- Molecular Weight1
- 144.21
- CAS
- 2177-82-4
- Other Names
-
- Methyl 4-methylhexanoate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4706 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [996.00; 1000.00] |
|
|
| Inp | 996.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Tboil | 439.00 ± 3.00 | K | NIST |
| Tc | 615.48 | K | Relay (1.0) Calculated Property |
| Tfus | 186.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.41; 344.48] | J/mol×K | [440.42; 615.93] |
|
| Cp,gas | 274.41 | J/mol×K | 440.42 | Joback Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 469.67 | Joback Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 498.92 | Joback Calculated Property |
| Cp,gas | 311.59 | J/mol×K | 528.18 | Joback Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 333.99 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 344.48 | J/mol×K | 615.93 | Joback Calculated Property |
| η | [0.0002299; 0.0103762] | Pa×s | [207.25; 440.42] |
|
| η | 0.0103762 | Pa×s | 207.25 | Joback Calculated Property |
| η | 0.0033312 | Pa×s | 246.11 | Joback Calculated Property |
| η | 0.0014580 | Pa×s | 284.97 | Joback Calculated Property |
| η | 0.0007781 | Pa×s | 323.83 | Joback Calculated Property |
| η | 0.0004750 | Pa×s | 362.70 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 401.56 | Joback Calculated Property |
| η | 0.0002299 | Pa×s | 440.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 4-methyl-, methyl ester.
Sources
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