- InChI
- InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3
- InChI Key
- FHNKBSDJERHDHZ-UHFFFAOYSA-N
- Formula
- C19H26O2
- SMILES
-
CC(C)=CC1C(C(=O)OCc2ccc(C)cc2C
)C1(C)C - Molecular Weight1
- 286.41
- CAS
- 70-38-2
- Other Names
-
- Dimethrin
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2,4-dimethylphenyl)methyl ester
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, 2,4-dimethylbenzyl ester
- Dimetrin
- ENT 21,170
- 2,4-Dimethylbenzyl chrysanthemumate
- 2,4-Dimethylbenzyl 2,2-dimethyl-3-(2-methylpropenyl) cyclopropanecarboxylate
- 2,4-Dimethylbenzyl ester of chrysanthemumic acid
- 2,4-Dimethylbenzylester kyseliny chrysanthemove
- (2,4-Dimethylphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
- ENT-21170
- NSC 15731
- 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).
- 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 | 0.5950 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.585 | Crippen Calculated Property | |
| McVol | 247.090 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Tboil | 585.81 | K | Relay (1.0) Calculated Property |
| Tc | 831.18 | K | Relay (1.0) Calculated Property |
| Tfus | 336.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.867 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.70; 835.89] | J/mol×K | [748.73; 965.61] | 
|
| Cp,gas | 728.70 | J/mol×K | 748.73 | Joback Calculated Property |
| Cp,gas | 747.96 | J/mol×K | 784.88 | Joback Calculated Property |
| Cp,gas | 766.47 | J/mol×K | 821.02 | Joback Calculated Property |
| Cp,gas | 784.37 | J/mol×K | 857.17 | Joback Calculated Property |
| Cp,gas | 801.81 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 818.93 | J/mol×K | 929.47 | Joback Calculated Property |
| Cp,gas | 835.89 | J/mol×K | 965.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chrysanthemumic acid 2,4-dimethylbenzyl ester.
Sources
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