- InChI
- InChI=1S/C15H19ClO3/c1-4-15(5-2,13(16)17)14(18)19-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3
- InChI Key
- OBGBKKJGWIPFIC-UHFFFAOYSA-N
- Formula
- C15H19ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1cccc(
C)c1 - Molecular Weight1
- 282.76
- 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° | -193.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 219.700 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 738.62 | K | Joback Calculated Property |
| Tc | 956.98 | K | Joback Calculated Property |
| Tfus | 452.18 | K | Joback Calculated Property |
| Vc | 0.836 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.69; 667.44] | J/mol×K | [738.62; 956.98] |
|
| Cp,gas | 595.69 | J/mol×K | 738.62 | Joback Calculated Property |
| Cp,gas | 610.07 | J/mol×K | 775.01 | Joback Calculated Property |
| Cp,gas | 623.41 | J/mol×K | 811.41 | Joback Calculated Property |
| Cp,gas | 635.77 | J/mol×K | 847.80 | Joback Calculated Property |
| Cp,gas | 647.19 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 657.73 | J/mol×K | 920.59 | Joback Calculated Property |
| Cp,gas | 667.44 | J/mol×K | 956.98 | Joback Calculated Property |
| η | [0.0001020; 0.0010616] | Pa×s | [452.18; 738.62] |
|
| η | 0.0010616 | Pa×s | 452.18 | Joback Calculated Property |
| η | 0.0005963 | Pa×s | 499.92 | Joback Calculated Property |
| η | 0.0003703 | Pa×s | 547.66 | Joback Calculated Property |
| η | 0.0002483 | Pa×s | 595.40 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 643.14 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 690.88 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 738.62 | Joback Calculated Property |
Similar Compounds
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Sources
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