- InChI
- InChI=1S/C9H18O2/c1-8(2)6-4-5-7-9(10)11-3/h8H,4-7H2,1-3H3
- InChI Key
- QIYDQYBDGDYJKD-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- COC(=O)CCCCC(C)C
- Molecular Weight1
- 158.24
- CAS
- 2519-37-1
- Other Names
-
- 6-Methylheptanoic acid, methyl ester
- Heptanoic acid, 6-methyl, methyl ester
- 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).
- Inp : Non-polar retention indices.
- 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° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| I | [1338.00; 1338.00] |
|
|
| I | 1338.00 | NIST | |
| I | 1338.00 | NIST | |
| Tboil | 481.17 | K | Joback Calculated Property |
| Tc | 658.49 | K | Joback Calculated Property |
| Tfus | 248.35 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.06; 397.15] | J/mol×K | [481.17; 658.49] |
|
| Cp,gas | 323.06 | J/mol×K | 481.17 | Joback Calculated Property |
| Cp,gas | 336.66 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 540.28 | Joback Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 569.83 | Joback Calculated Property |
| Cp,gas | 374.44 | J/mol×K | 599.38 | Joback Calculated Property |
| Cp,gas | 386.04 | J/mol×K | 628.93 | Joback Calculated Property |
| Cp,gas | 397.15 | J/mol×K | 658.49 | Joback Calculated Property |
| η | [0.0002272; 0.0047844] | Pa×s | [248.35; 481.17] |
|
| η | 0.0047844 | Pa×s | 248.35 | Joback Calculated Property |
| η | 0.0020429 | Pa×s | 287.15 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 325.96 | Joback Calculated Property |
| η | 0.0006412 | Pa×s | 364.76 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 442.37 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 481.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 6-methyl heptanoate.
Sources
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