- InChI
- InChI=1S/C15H22O3/c1-6-7-13(16)18-15-12(10(2)3)9-8-11(4)14(15)17-5/h8-10H,6-7H2,1-5H3
- InChI Key
- OVEFHMXINPFAGU-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCC(=O)Oc1c(C(C)C)ccc(C)c1OC
- Molecular Weight1
- 250.33
- 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° | -182.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.833 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Inp | 1671.00 | NIST | |
| Tboil | 682.49 | K | Joback Calculated Property |
| Tc | 884.50 | K | Joback Calculated Property |
| Tfus | 402.18 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.55; 658.02] | J/mol×K | [682.49; 884.50] | 
|
| Cp,gas | 573.55 | J/mol×K | 682.49 | Joback Calculated Property |
| Cp,gas | 589.82 | J/mol×K | 716.16 | Joback Calculated Property |
| Cp,gas | 605.22 | J/mol×K | 749.83 | Joback Calculated Property |
| Cp,gas | 619.74 | J/mol×K | 783.50 | Joback Calculated Property |
| Cp,gas | 633.37 | J/mol×K | 817.17 | Joback Calculated Property |
| Cp,gas | 646.14 | J/mol×K | 850.84 | Joback Calculated Property |
| Cp,gas | 658.02 | J/mol×K | 884.50 | Joback Calculated Property |
| η | [0.0000970; 0.0008542] | Pa×s | [402.18; 682.49] |
|
| η | 0.0008542 | Pa×s | 402.18 | Joback Calculated Property |
| η | 0.0004921 | Pa×s | 448.90 | Joback Calculated Property |
| η | 0.0003146 | Pa×s | 495.62 | Joback Calculated Property |
| η | 0.0002172 | Pa×s | 542.34 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 589.05 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 635.77 | Joback Calculated Property |
| η | 0.0000970 | Pa×s | 682.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methoxythymol isobutyrate.
Sources
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