- InChI
- InChI=1S/C15H22O3/c1-9(2)12-8-7-11(5)13(14(12)17-6)18-15(16)10(3)4/h7-10H,1-6H3
- InChI Key
- RIOPMYZNXSYRON-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
COc1c(C(C)C)ccc(C)c1OC(=O)C(C)
C - Molecular Weight1
- 250.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6784 | Relay (... Calculated Property | |
| ΔfG° | -184.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.688 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | 1675.00 | NIST | |
| Tboil | 545.73 | K | Relay (... Calculated Property |
| Tc | 766.36 | K | Relay (... Calculated Property |
| Tfus | 316.37 | K | Relay (... Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.04; 659.76] | J/mol×K | [682.05; 887.57] | 
|
| Cp,gas | 574.04 | J/mol×K | 682.05 | Joback Calculated Property |
| Cp,gas | 590.62 | J/mol×K | 716.30 | Joback Calculated Property |
| Cp,gas | 606.29 | J/mol×K | 750.56 | Joback Calculated Property |
| Cp,gas | 621.03 | J/mol×K | 784.81 | Joback Calculated Property |
| Cp,gas | 634.86 | J/mol×K | 819.06 | Joback Calculated Property |
| Cp,gas | 647.77 | J/mol×K | 853.31 | Joback Calculated Property |
| Cp,gas | 659.76 | J/mol×K | 887.57 | Joback Calculated Property |
| η | [0.0000898; 0.0010114] | Pa×s | [387.18; 682.05] |
|
| η | 0.0010114 | Pa×s | 387.18 | Joback Calculated Property |
| η | 0.0005382 | Pa×s | 436.32 | Joback Calculated Property |
| η | 0.0003254 | Pa×s | 485.47 | Joback Calculated Property |
| η | 0.0002158 | Pa×s | 534.62 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 583.76 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 632.90 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 682.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Isobutyryloxy)-thymol methyl ether.
Sources
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