- InChI
- InChI=1S/C16H24O3/c1-10(2)7-16(17)19-15-8-12(5)14(18-6)9-13(15)11(3)4/h8-11H,7H2,1-6H3
- InChI Key
- OPDWBYDWJIWHMN-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
-
COc1cc(C(C)C)c(OC(=O)CC(C)C)cc
1C - Molecular Weight1
- 264.36
- 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° | -176.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.079 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | 1658.00 | NIST | |
| I | 1998.00 | NIST | |
| Tboil | 704.93 | K | Joback Calculated Property |
| Tc | 907.94 | K | Joback Calculated Property |
| Tfus | 398.45 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.41; 715.86] | J/mol×K | [704.93; 907.94] | 
|
| Cp,gas | 628.41 | J/mol×K | 704.93 | Joback Calculated Property |
| Cp,gas | 645.38 | J/mol×K | 738.77 | Joback Calculated Property |
| Cp,gas | 661.39 | J/mol×K | 772.60 | Joback Calculated Property |
| Cp,gas | 676.44 | J/mol×K | 806.44 | Joback Calculated Property |
| Cp,gas | 690.53 | J/mol×K | 840.27 | Joback Calculated Property |
| Cp,gas | 703.67 | J/mol×K | 874.11 | Joback Calculated Property |
| Cp,gas | 715.86 | J/mol×K | 907.94 | Joback Calculated Property |
| η | [0.0000801; 0.0009462] | Pa×s | [398.45; 704.93] |
|
| η | 0.0009462 | Pa×s | 398.45 | Joback Calculated Property |
| η | 0.0004963 | Pa×s | 449.53 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 500.61 | Joback Calculated Property |
| η | 0.0001954 | Pa×s | 551.69 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 602.77 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 653.85 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 704.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methoxythymyl isobutyrate.
Sources
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