- InChI
- InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h4,11H,1,5-10H2,2-3H3
- InChI Key
- VXCSHKJRSMDDCU-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CCCCCCC(=O)OCC(C)C
- Molecular Weight1
- 198.30
- 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).
- 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° | -98.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1933.83 | kPa | Joback Calculated Property |
| I | [1591.00; 1592.00] |
|
|
| I | 1591.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1591.00 | NIST | |
| Tboil | 546.49 | K | Joback Calculated Property |
| Tc | 722.36 | K | Joback Calculated Property |
| Tfus | 280.40 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.62; 528.12] | J/mol×K | [546.49; 722.36] |
|
| Cp,gas | 444.62 | J/mol×K | 546.49 | Joback Calculated Property |
| Cp,gas | 460.13 | J/mol×K | 575.80 | Joback Calculated Property |
| Cp,gas | 474.98 | J/mol×K | 605.11 | Joback Calculated Property |
| Cp,gas | 489.19 | J/mol×K | 634.42 | Joback Calculated Property |
| Cp,gas | 502.77 | J/mol×K | 663.74 | Joback Calculated Property |
| Cp,gas | 515.75 | J/mol×K | 693.05 | Joback Calculated Property |
| Cp,gas | 528.12 | J/mol×K | 722.36 | Joback Calculated Property |
| η | [0.0001814; 0.0039999] | Pa×s | [280.40; 546.49] |
|
| η | 0.0039999 | Pa×s | 280.40 | Joback Calculated Property |
| η | 0.0016799 | Pa×s | 324.75 | Joback Calculated Property |
| η | 0.0008691 | Pa×s | 369.10 | Joback Calculated Property |
| η | 0.0005179 | Pa×s | 413.44 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 457.79 | Joback Calculated Property |
| η | 0.0002419 | Pa×s | 502.14 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 546.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyl 7-octenoate.
Sources
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