- InChI
- InChI=1S/C14H28O2/c1-12(2)9-7-5-6-8-10-14(15)16-11-13(3)4/h12-13H,5-11H2,1-4H3
- InChI Key
- DTJLMFONYDSQIM-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CC(C)CCCCCCC(=O)OCC(C)C
- Molecular Weight1
- 228.37
- CAS
- 1215127-94-8
- 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° | -171.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1600.00 | kPa | Joback Calculated Property |
| Inp | [1511.40; 1511.40] |
|
|
| Inp | 1511.40 | NIST | |
| Inp | 1511.40 | NIST | |
| Tboil | 595.13 | K | Joback Calculated Property |
| Tc | 768.62 | K | Joback Calculated Property |
| Tfus | 289.70 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.68; 661.96] | J/mol×K | [595.13; 768.62] |
|
| Cp,gas | 567.68 | J/mol×K | 595.13 | Joback Calculated Property |
| Cp,gas | 585.21 | J/mol×K | 624.04 | Joback Calculated Property |
| Cp,gas | 602.00 | J/mol×K | 652.96 | Joback Calculated Property |
| Cp,gas | 618.05 | J/mol×K | 681.87 | Joback Calculated Property |
| Cp,gas | 633.39 | J/mol×K | 710.79 | Joback Calculated Property |
| Cp,gas | 648.02 | J/mol×K | 739.70 | Joback Calculated Property |
| Cp,gas | 661.96 | J/mol×K | 768.62 | Joback Calculated Property |
| η | [0.0001338; 0.0052596] | Pa×s | [289.70; 595.13] |
|
| η | 0.0052596 | Pa×s | 289.70 | Joback Calculated Property |
| η | 0.0018054 | Pa×s | 340.61 | Joback Calculated Property |
| η | 0.0008184 | Pa×s | 391.51 | Joback Calculated Property |
| η | 0.0004451 | Pa×s | 442.42 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 493.32 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 544.23 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 595.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 8-methylnonanoate.
Sources
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