- InChI
- InChI=1S/C14H20O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7-10H,5-6H2,1-4H3
- InChI Key
- TUGCSLQMXFBHFI-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCC(=O)Oc1cc(C(C)C)ccc1C
- Molecular Weight1
- 220.31
- 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° | -76.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| I | [1907.00; 1907.00] |
|
|
| I | 1907.00 | NIST | |
| I | 1907.00 | NIST | |
| Tboil | 632.21 | K | Joback Calculated Property |
| Tc | 837.91 | K | Joback Calculated Property |
| Tfus | 356.16 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.94; 578.72] | J/mol×K | [632.21; 837.91] |
|
| Cp,gas | 493.94 | J/mol×K | 632.21 | Joback Calculated Property |
| Cp,gas | 510.22 | J/mol×K | 666.49 | Joback Calculated Property |
| Cp,gas | 525.62 | J/mol×K | 700.78 | Joback Calculated Property |
| Cp,gas | 540.15 | J/mol×K | 735.06 | Joback Calculated Property |
| Cp,gas | 553.84 | J/mol×K | 769.34 | Joback Calculated Property |
| Cp,gas | 566.69 | J/mol×K | 803.63 | Joback Calculated Property |
| Cp,gas | 578.72 | J/mol×K | 837.91 | Joback Calculated Property |
| η | [0.0001377; 0.0015325] | Pa×s | [356.16; 632.21] |
|
| η | 0.0015325 | Pa×s | 356.16 | Joback Calculated Property |
| η | 0.0008151 | Pa×s | 402.17 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 448.18 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 494.19 | Joback Calculated Property |
| η | 0.0002338 | Pa×s | 540.19 | Joback Calculated Property |
| η | 0.0001757 | Pa×s | 586.20 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 632.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isothymyl butyrate.
Sources
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