- InChI
- InChI=1S/C14H17ClO3/c1-14(2,12(15)16)13(17)18-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
- InChI Key
- BMNDSPKXQWDZTK-UHFFFAOYSA-N
- Formula
- C14H17ClO3
- SMILES
-
CC(C)(C(=O)Cl)C(=O)OCCCc1ccccc
1 - Molecular Weight1
- 268.74
- 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 | 0.6164 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.954 | Crippen Calculated Property | |
| McVol | 205.610 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | 1798.00 | NIST | |
| Tboil | 573.31 | K | Relay (1.0) Calculated Property |
| Tc | 793.66 | K | Relay (1.0) Calculated Property |
| Tfus | 290.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.60; 613.84] | J/mol×K | [710.76; 931.73] | 
|
| Cp,gas | 543.60 | J/mol×K | 710.76 | Joback Calculated Property |
| Cp,gas | 557.76 | J/mol×K | 747.59 | Joback Calculated Property |
| Cp,gas | 570.86 | J/mol×K | 784.42 | Joback Calculated Property |
| Cp,gas | 582.96 | J/mol×K | 821.24 | Joback Calculated Property |
| Cp,gas | 594.12 | J/mol×K | 858.07 | Joback Calculated Property |
| Cp,gas | 604.40 | J/mol×K | 894.90 | Joback Calculated Property |
| Cp,gas | 613.84 | J/mol×K | 931.73 | Joback Calculated Property |
| η | [0.0001172; 0.0014179] | Pa×s | [428.39; 710.76] |
|
| η | 0.0014179 | Pa×s | 428.39 | Joback Calculated Property |
| η | 0.0007618 | Pa×s | 475.45 | Joback Calculated Property |
| η | 0.0004578 | Pa×s | 522.51 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 569.58 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 616.64 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 663.70 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 710.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, monochloride, 3-phenylpropyl ester.
Sources
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