- InChI
- InChI=1S/C15H21ClO2/c1-11(10-15(2,3)4)8-14(17)18-13-7-5-6-12(16)9-13/h5-7,9,11H,8,10H2,1-4H3
- InChI Key
- MNAZLQAHROGLQR-UHFFFAOYSA-N
- Formula
- C15H21ClO2
- SMILES
-
CC(CC(=O)Oc1cccc(Cl)c1)CC(C)(C
)C - Molecular Weight1
- 268.78
- 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° | -67.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.708 | Crippen Calculated Property | |
| McVol | 218.130 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1777.00; 1777.00] |
|
|
| Inp | 1777.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 684.31 | K | Joback Calculated Property |
| Tc | 900.50 | K | Joback Calculated Property |
| Tfus | 387.25 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.85; 662.00] | J/mol×K | [684.31; 900.50] |
|
| Cp,gas | 578.85 | J/mol×K | 684.31 | Joback Calculated Property |
| Cp,gas | 595.29 | J/mol×K | 720.34 | Joback Calculated Property |
| Cp,gas | 610.62 | J/mol×K | 756.37 | Joback Calculated Property |
| Cp,gas | 624.91 | J/mol×K | 792.40 | Joback Calculated Property |
| Cp,gas | 638.20 | J/mol×K | 828.44 | Joback Calculated Property |
| Cp,gas | 650.55 | J/mol×K | 864.47 | Joback Calculated Property |
| Cp,gas | 662.00 | J/mol×K | 900.50 | Joback Calculated Property |
| η | [0.0000975; 0.0016499] | Pa×s | [387.25; 684.31] |
|
| η | 0.0016499 | Pa×s | 387.25 | Joback Calculated Property |
| η | 0.0007884 | Pa×s | 436.76 | Joback Calculated Property |
| η | 0.0004378 | Pa×s | 486.27 | Joback Calculated Property |
| η | 0.0002711 | Pa×s | 535.78 | Joback Calculated Property |
| η | 0.0001820 | Pa×s | 585.29 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 634.80 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 684.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 3-chlorophenyl ester.
Sources
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