- InChI
- InChI=1S/C16H19ClO4/c1-11-10-13(6-7-14(11)17)21-16(19)9-8-15(18)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
- InChI Key
- BKWSNQQNNAURIY-UHFFFAOYSA-N
- Formula
- C16H19ClO4
- SMILES
-
Cc1cc(OC(=O)CCC(=O)OC2CCCC2)cc
c1Cl - Molecular Weight1
- 310.77
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -763.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.76 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.820 | Crippen Calculated Property | |
| McVol | 228.800 | ml/mol | McGowan Calculated Property |
| Inp | [2396.00; 2396.00] |
|
|
| Inp | 2396.00 | NIST | |
| Inp | 2396.00 | NIST | |
| Tfus | 316.21 | 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, Ionization energy, 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 | [305.60; 727.96] | 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 | -1.37380e+01 | |||
| Coefficient B | 1.35482e+00 | |||
| Coefficient C | -7.02320e-04 | |||
| Coefficient D | 8.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 305.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 381.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 449.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 510.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 563.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 609.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 648.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 681.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 707.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 727.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011146; 0.0001376] | Pa×s | [447.02; 696.71] |
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 | -1.26369e+01 | |||
| Coefficient B | 2.60956e+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. | 447.02 | |||
| Temperature range, max. | 696.71 | |||
| η | 0.0011146 | Pa×s | 447.02 | Calculated Property |
| η | 0.0007925 | Pa×s | 474.76 | Calculated Property |
| η | 0.0005850 | Pa×s | 502.51 | Calculated Property |
| η | 0.0004458 | Pa×s | 530.25 | Calculated Property |
| η | 0.0003491 | Pa×s | 558.00 | Calculated Property |
| η | 0.0002797 | Pa×s | 585.74 | Calculated Property |
| η | 0.0002287 | Pa×s | 613.48 | Calculated Property |
| η | 0.0001902 | Pa×s | 641.23 | Calculated Property |
| η | 0.0001607 | Pa×s | 668.97 | Calculated Property |
| η | 0.0001376 | Pa×s | 696.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl cyclopentyl 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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