- InChI
- InChI=1S/C13H24O2/c1-4-5-10-13(14)15-11-8-6-7-9-12(2)3/h7,9,12H,4-6,8,10-11H2,1-3H3/b9-7+
- InChI Key
- GSZZRNCIEMCQMD-VQHVLOKHSA-N
- Formula
- C13H24O2
- SMILES
- CCCCC(=O)OCCCC=CC(C)C
- Molecular Weight1
- 212.33
- CAS
- 1215128-07-6
- 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° | -97.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.712 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | [1438.00; 1438.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Tboil | 576.85 | K | Joback Calculated Property |
| Tc | 755.04 | K | Joback Calculated Property |
| Tfus | 288.35 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.13; 583.37] | J/mol×K | [576.85; 755.04] |
|
| Cp,gas | 496.13 | J/mol×K | 576.85 | Joback Calculated Property |
| Cp,gas | 512.41 | J/mol×K | 606.55 | Joback Calculated Property |
| Cp,gas | 527.97 | J/mol×K | 636.25 | Joback Calculated Property |
| Cp,gas | 542.83 | J/mol×K | 665.95 | Joback Calculated Property |
| Cp,gas | 557.00 | J/mol×K | 695.64 | Joback Calculated Property |
| Cp,gas | 570.51 | J/mol×K | 725.34 | Joback Calculated Property |
| Cp,gas | 583.37 | J/mol×K | 755.04 | Joback Calculated Property |
| η | [0.0001357; 0.0037720] | Pa×s | [288.35; 576.85] |
|
| η | 0.0037720 | Pa×s | 288.35 | Joback Calculated Property |
| η | 0.0014586 | Pa×s | 336.43 | Joback Calculated Property |
| η | 0.0007154 | Pa×s | 384.52 | Joback Calculated Property |
| η | 0.0004110 | Pa×s | 432.60 | Joback Calculated Property |
| η | 0.0002639 | Pa×s | 480.68 | Joback Calculated Property |
| η | 0.0001836 | Pa×s | 528.77 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 576.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-4-heptenyl pentanoate.
Sources
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