- InChI
- InChI=1S/C14H17ClO4/c1-4-9-18-12(16)14(2,3)13(17)19-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3
- InChI Key
- UPJPDESZJDAAHC-UHFFFAOYSA-N
- Formula
- C14H17ClO4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl
)cc1 - Molecular Weight1
- 284.74
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -741.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.225 | Crippen Calculated Property | |
| McVol | 211.480 | ml/mol | McGowan Calculated Property |
| Inp | [1818.00; 1818.00] |
|
|
| Inp | 1818.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Tfus | 293.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.39; 645.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.79200e+00 | |||
| Coefficient B | 1.21846e+00 | |||
| Coefficient C | -7.04960e-04 | |||
| Coefficient D | 1.22700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 358.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 416.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 467.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 549.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 581.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 608.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 629.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 645.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013830; 0.0001044] | Pa×s | [403.48; 642.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35284e+01 | |||
| Coefficient B | 2.80214e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 403.48 | |||
| Temperature range, max. | 642.55 | |||
| η | 0.0013830 | Pa×s | 403.48 | Calculated Property |
| η | 0.0009006 | Pa×s | 430.04 | Calculated Property |
| η | 0.0006164 | Pa×s | 456.61 | Calculated Property |
| η | 0.0004399 | Pa×s | 483.17 | Calculated Property |
| η | 0.0003252 | Pa×s | 509.73 | Calculated Property |
| η | 0.0002477 | Pa×s | 536.30 | Calculated Property |
| η | 0.0001935 | Pa×s | 562.86 | Calculated Property |
| η | 0.0001546 | Pa×s | 589.42 | Calculated Property |
| η | 0.0001260 | Pa×s | 615.99 | Calculated Property |
| η | 0.0001044 | Pa×s | 642.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl propyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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