- InChI
- InChI=1S/C15H19ClO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
- InChI Key
- NTXZMKLDPLZRSY-UHFFFAOYSA-N
- Formula
- C15H19ClO4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cccc(Cl
)c1 - Molecular Weight1
- 298.77
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -753.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 605.99 | K | Relay (1.0) Calculated Property |
| Tc | 803.47 | K | Relay (1.0) Calculated Property |
| Tfus | 280.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [314.75; 696.65] | 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 | 3.16740e+01 | |||
| Coefficient B | 1.19354e+00 | |||
| Coefficient C | -5.90760e-04 | |||
| Coefficient D | 6.22000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 382.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 443.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 498.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 546.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 588.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 623.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 653.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 677.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 696.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015032; 0.0001051] | Pa×s | [397.33; 654.00] |
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 | -1.32793e+01 | |||
| Coefficient B | 2.69358e+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. | 397.33 | |||
| Temperature range, max. | 654.00 | |||
| η | 0.0015032 | Pa×s | 397.33 | Calculated Property |
| η | 0.0009547 | Pa×s | 425.85 | Calculated Property |
| η | 0.0006419 | Pa×s | 454.37 | Calculated Property |
| η | 0.0004523 | Pa×s | 482.89 | Calculated Property |
| η | 0.0003314 | Pa×s | 511.40 | Calculated Property |
| η | 0.0002509 | Pa×s | 539.92 | Calculated Property |
| η | 0.0001953 | Pa×s | 568.44 | Calculated Property |
| η | 0.0001558 | Pa×s | 596.96 | Calculated Property |
| η | 0.0001268 | Pa×s | 625.48 | Calculated Property |
| η | 0.0001051 | Pa×s | 654.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-chlorobenzyl isobutyl ester.
Sources
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