- InChI
- InChI=1S/C14H17ClO3/c1-4-14(5-2,12(15)16)13(17)18-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
- InChI Key
- NUTWFCNCZMULNO-UHFFFAOYSA-N
- Formula
- C14H17ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(C
)c1 - Molecular Weight1
- 268.74
- 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° | -202.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.472 | Crippen Calculated Property | |
| McVol | 205.610 | ml/mol | McGowan Calculated Property |
| Pc | 2153.30 | kPa | Joback Calculated Property |
| Inp | [1721.00; 1721.00] |
|
|
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 715.74 | K | Joback Calculated Property |
| Tc | 937.51 | K | Joback Calculated Property |
| Tfus | 440.91 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.52; 612.20] | J/mol×K | [715.74; 937.51] |
|
| Cp,gas | 542.52 | J/mol×K | 715.74 | Joback Calculated Property |
| Cp,gas | 556.53 | J/mol×K | 752.70 | Joback Calculated Property |
| Cp,gas | 569.52 | J/mol×K | 789.66 | Joback Calculated Property |
| Cp,gas | 581.53 | J/mol×K | 826.63 | Joback Calculated Property |
| Cp,gas | 592.61 | J/mol×K | 863.59 | Joback Calculated Property |
| Cp,gas | 602.82 | J/mol×K | 900.55 | Joback Calculated Property |
| Cp,gas | 612.20 | J/mol×K | 937.51 | Joback Calculated Property |
| η | [0.0001167; 0.0011603] | Pa×s | [440.91; 715.74] |
|
| η | 0.0011603 | Pa×s | 440.91 | Joback Calculated Property |
| η | 0.0006609 | Pa×s | 486.72 | Joback Calculated Property |
| η | 0.0004147 | Pa×s | 532.52 | Joback Calculated Property |
| η | 0.0002801 | Pa×s | 578.33 | Joback Calculated Property |
| η | 0.0002005 | Pa×s | 624.13 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 669.94 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 715.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 3-methylphenyl ester.
Sources
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