- InChI
- InChI=1S/C13H26O2/c1-11(2)8-6-5-7-9-15-13(14)10-12(3)4/h11-12H,5-10H2,1-4H3
- InChI Key
- QPMMHSBIHVGXNV-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CC(C)CCCCCOC(=O)CC(C)C
- Molecular Weight1
- 214.34
- 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.
- 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° | -180.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | [1402.10; 1402.10] |
|
|
| Inp | 1402.10 | NIST | |
| Inp | 1402.10 | NIST | |
| Tboil | 572.25 | K | Joback Calculated Property |
| Tc | 746.93 | K | Joback Calculated Property |
| Tfus | 278.43 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.40; 606.91] | J/mol×K | [572.25; 746.93] |
|
| Cp,gas | 515.40 | J/mol×K | 572.25 | Joback Calculated Property |
| Cp,gas | 532.39 | J/mol×K | 601.36 | Joback Calculated Property |
| Cp,gas | 548.66 | J/mol×K | 630.48 | Joback Calculated Property |
| Cp,gas | 564.24 | J/mol×K | 659.59 | Joback Calculated Property |
| Cp,gas | 579.14 | J/mol×K | 688.70 | Joback Calculated Property |
| Cp,gas | 593.36 | J/mol×K | 717.82 | Joback Calculated Property |
| Cp,gas | 606.91 | J/mol×K | 746.93 | Joback Calculated Property |
| η | [0.0001494; 0.0057377] | Pa×s | [278.43; 572.25] |
|
| η | 0.0057377 | Pa×s | 278.43 | Joback Calculated Property |
| η | 0.0019823 | Pa×s | 327.40 | Joback Calculated Property |
| η | 0.0009030 | Pa×s | 376.37 | Joback Calculated Property |
| η | 0.0004930 | Pa×s | 425.34 | Joback Calculated Property |
| η | 0.0003050 | Pa×s | 474.31 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 523.28 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 572.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylheptyl 3-methylbutanoate.
Sources
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