- InChI
- InChI=1S/C17H30O4/c1-3-4-5-9-14(2)20-16(18)12-8-13-17(19)21-15-10-6-7-11-15/h14-15H,3-13H2,1-2H3
- InChI Key
- HSLUTSRUVLAMSU-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC1CCCC
1 - Molecular Weight1
- 298.42
- 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 | -996.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.38 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.155 | Crippen Calculated Property | |
| McVol | 254.410 | ml/mol | McGowan Calculated Property |
| Inp | [2012.00; 2012.00] |
|
|
| Inp | 2012.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Tboil | 597.38 | K | Relay (1.0) Calculated Property |
| Tfus | 258.59 | 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 | [365.25; 896.43] | 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 | -2.39130e+01 | |||
| Coefficient B | 1.64684e+00 | |||
| Coefficient C | -8.42400e-04 | |||
| Coefficient D | 1.15900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 458.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 542.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 616.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 682.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 740.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 790.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 832.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 868.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 896.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032544; 0.0001403] | Pa×s | [361.91; 636.15] |
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 | -1.30205e+01 | |||
| Coefficient B | 2.63932e+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. | 361.91 | |||
| Temperature range, max. | 636.15 | |||
| η | 0.0032544 | Pa×s | 361.91 | Calculated Property |
| η | 0.0018472 | Pa×s | 392.38 | Calculated Property |
| η | 0.0011377 | Pa×s | 422.85 | Calculated Property |
| η | 0.0007478 | Pa×s | 453.32 | Calculated Property |
| η | 0.0005183 | Pa×s | 483.79 | Calculated Property |
| η | 0.0003751 | Pa×s | 514.26 | Calculated Property |
| η | 0.0002815 | Pa×s | 544.73 | Calculated Property |
| η | 0.0002178 | Pa×s | 575.20 | Calculated Property |
| η | 0.0001729 | Pa×s | 605.68 | Calculated Property |
| η | 0.0001403 | Pa×s | 636.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl hept-2-yl 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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