- InChI
- InChI=1S/C13H16O2/c1-4-5-11-6-8-12(9-7-11)15-13(14)10(2)3/h4-10H,1-3H3
- InChI Key
- LJEWVBGJLXRKQV-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CC=Cc1ccc(OC(=O)C(C)C)cc1
- Molecular Weight1
- 204.26
- 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° | 5.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.281 | Crippen Calculated Property | |
| McVol | 173.410 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | [1538.00; 1546.00] |
|
|
| Inp | 1538.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1541.00 | NIST | |
| I | [2134.00; 2136.00] |
|
|
| I | 2136.00 | NIST | |
| I | 2134.00 | NIST | |
| I | 2136.00 | NIST | |
| Tboil | 608.51 | K | Joback Calculated Property |
| Tc | 825.22 | K | Joback Calculated Property |
| Tfus | 327.29 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.05; 502.25] | J/mol×K | [608.51; 825.22] |
|
| Cp,gas | 423.05 | J/mol×K | 608.51 | Joback Calculated Property |
| Cp,gas | 438.47 | J/mol×K | 644.63 | Joback Calculated Property |
| Cp,gas | 452.95 | J/mol×K | 680.75 | Joback Calculated Property |
| Cp,gas | 466.54 | J/mol×K | 716.86 | Joback Calculated Property |
| Cp,gas | 479.26 | J/mol×K | 752.98 | Joback Calculated Property |
| Cp,gas | 491.15 | J/mol×K | 789.10 | Joback Calculated Property |
| Cp,gas | 502.25 | J/mol×K | 825.22 | Joback Calculated Property |
| η | [0.0001316; 0.0019222] | Pa×s | [327.29; 608.51] |
|
| η | 0.0019222 | Pa×s | 327.29 | Joback Calculated Property |
| η | 0.0009292 | Pa×s | 374.16 | Joback Calculated Property |
| η | 0.0005281 | Pa×s | 421.03 | Joback Calculated Property |
| η | 0.0003361 | Pa×s | 467.90 | Joback Calculated Property |
| η | 0.0002323 | Pa×s | 514.77 | Joback Calculated Property |
| η | 0.0001707 | Pa×s | 561.64 | Joback Calculated Property |
| η | 0.0001316 | Pa×s | 608.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isochavicol isobutyrate.
Sources
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