- InChI
- InChI=1S/C16H29ClO2/c17-13-7-3-1-2-4-8-14-19-16(18)12-11-15-9-5-6-10-15/h15H,1-14H2
- InChI Key
- LSPFYISYDAUGPA-UHFFFAOYSA-N
- Formula
- C16H29ClO2
- SMILES
- O=C(CCC1CCCC1)OCCCCCCCCCl
- Molecular Weight1
- 288.85
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -682.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.079 | Crippen Calculated Property | |
| McVol | 245.120 | ml/mol | McGowan Calculated Property |
| Inp | [2198.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Tboil | 603.91 | K | Relay (1.0) Calculated Property |
| Tfus | 260.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [341.42; 844.46] | 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 | -3.38400e+01 | |||
| Coefficient B | 1.60750e+00 | |||
| Coefficient C | -8.99800e-04 | |||
| Coefficient D | 1.70600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 341.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 429.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 508.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 578.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 640.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 694.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 741.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 781.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 816.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 844.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031290; 0.0002116] | Pa×s | [353.23; 604.56] |
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 | -1.22471e+01 | |||
| Coefficient B | 2.28894e+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. | 353.23 | |||
| Temperature range, max. | 604.56 | |||
| η | 0.0031290 | Pa×s | 353.23 | Calculated Property |
| η | 0.0019464 | Pa×s | 381.16 | Calculated Property |
| η | 0.0012918 | Pa×s | 409.08 | Calculated Property |
| η | 0.0009035 | Pa×s | 437.01 | Calculated Property |
| η | 0.0006596 | Pa×s | 464.93 | Calculated Property |
| η | 0.0004990 | Pa×s | 492.86 | Calculated Property |
| η | 0.0003890 | Pa×s | 520.78 | Calculated Property |
| η | 0.0003111 | Pa×s | 548.71 | Calculated Property |
| η | 0.0002542 | Pa×s | 576.63 | Calculated Property |
| η | 0.0002116 | Pa×s | 604.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 8-chlorooctyl 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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