- InChI
- InChI=1S/C16H22O3/c1-7-11(4)16(17)19-15-8-12(5)14(18-6)9-13(15)10(2)3/h7-10H,1-6H3/b11-7+
- InChI Key
- LLEOAKBZOLWGPN-YRNVUSSQSA-N
- Formula
- C16H22O3
- SMILES
-
CC=C(C)C(=O)Oc1cc(C)c(OC)cc1C(
C)C - Molecular Weight1
- 262.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.6891 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.999 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Inp | [1859.00; 1859.00] |
|
|
| Inp | 1859.00 | NIST | |
| Inp | 1859.00 | NIST | |
| Tboil | 572.24 | K | Relay (1.0) Calculated Property |
| Tc | 796.60 | K | Relay (1.0) Calculated Property |
| Tfus | 341.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.48; 688.85] | J/mol×K | [709.41; 918.94] |
|
| Cp,gas | 604.48 | J/mol×K | 709.41 | Joback Calculated Property |
| Cp,gas | 620.88 | J/mol×K | 744.33 | Joback Calculated Property |
| Cp,gas | 636.32 | J/mol×K | 779.25 | Joback Calculated Property |
| Cp,gas | 650.82 | J/mol×K | 814.17 | Joback Calculated Property |
| Cp,gas | 664.40 | J/mol×K | 849.10 | Joback Calculated Property |
| Cp,gas | 677.07 | J/mol×K | 884.02 | Joback Calculated Property |
| Cp,gas | 688.85 | J/mol×K | 918.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methoxy thymyl tiglate.
Sources
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