- InChI
- InChI=1S/C17H29ClO4/c18-13-7-3-1-2-4-8-14-21-16(19)11-12-17(20)22-15-9-5-6-10-15/h15H,1-14H2
- InChI Key
- SEISXWLDJDSZDK-UHFFFAOYSA-N
- Formula
- C17H29ClO4
- SMILES
-
O=C(CCC(=O)OC1CCCC1)OCCCCCCCCC
l - Molecular Weight1
- 332.86
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -993.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.375 | Crippen Calculated Property | |
| McVol | 266.650 | ml/mol | McGowan Calculated Property |
| Inp | [2495.00; 2495.00] |
|
|
| Inp | 2495.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Tfus | 291.19 | 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 | [378.97; 904.16] | 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 | -9.34000e+00 | |||
| Coefficient B | 1.64770e+00 | |||
| Coefficient C | -8.59600e-04 | |||
| Coefficient D | 1.25400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 471.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 554.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 628.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 693.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 751.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 800.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 841.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 876.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 904.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019197; 0.0001370] | Pa×s | [406.83; 664.08] |
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 | -1.30713e+01 | |||
| Coefficient B | 2.77282e+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. | 406.83 | |||
| Temperature range, max. | 664.08 | |||
| η | 0.0019197 | Pa×s | 406.83 | Calculated Property |
| η | 0.0012272 | Pa×s | 435.41 | Calculated Property |
| η | 0.0008290 | Pa×s | 464.00 | Calculated Property |
| η | 0.0005861 | Pa×s | 492.58 | Calculated Property |
| η | 0.0004304 | Pa×s | 521.17 | Calculated Property |
| η | 0.0003264 | Pa×s | 549.75 | Calculated Property |
| η | 0.0002544 | Pa×s | 578.33 | Calculated Property |
| η | 0.0002029 | Pa×s | 606.92 | Calculated Property |
| η | 0.0001653 | Pa×s | 635.50 | Calculated Property |
| η | 0.0001370 | Pa×s | 664.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 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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