- InChI
- InChI=1S/C15H19ClO3/c1-3-15(4-2,13(16)17)14(18)19-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
- InChI Key
- QLTHBKHAZONEPU-UHFFFAOYSA-N
- Formula
- C15H19ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCCc1cccc
c1 - Molecular Weight1
- 282.76
- 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 | 0.6270 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.344 | Crippen Calculated Property | |
| McVol | 219.700 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [1818.00; 1818.00] |
|
|
| Inp | 1818.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Tboil | 588.26 | K | Relay (1.0) Calculated Property |
| Tc | 805.03 | K | Relay (1.0) Calculated Property |
| Tfus | 307.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.760 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.73; 669.00] | J/mol×K | [733.64; 951.21] |
|
| Cp,gas | 596.73 | J/mol×K | 733.64 | Joback Calculated Property |
| Cp,gas | 611.24 | J/mol×K | 769.90 | Joback Calculated Property |
| Cp,gas | 624.68 | J/mol×K | 806.16 | Joback Calculated Property |
| Cp,gas | 637.12 | J/mol×K | 842.43 | Joback Calculated Property |
| Cp,gas | 648.62 | J/mol×K | 878.69 | Joback Calculated Property |
| Cp,gas | 659.23 | J/mol×K | 914.95 | Joback Calculated Property |
| Cp,gas | 669.00 | J/mol×K | 951.21 | Joback Calculated Property |
| η | [0.0001021; 0.0012896] | Pa×s | [439.66; 733.64] |
|
| η | 0.0012896 | Pa×s | 439.66 | Joback Calculated Property |
| η | 0.0006837 | Pa×s | 488.66 | Joback Calculated Property |
| η | 0.0004069 | Pa×s | 537.65 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 586.65 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 635.65 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 684.64 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 733.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, phenethyl ester.
Sources
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