- InChI
- InChI=1S/C18H32O4/c1-4-5-6-9-14(2)21-17(19)12-13-18(20)22-15(3)16-10-7-8-11-16/h14-16H,4-13H2,1-3H3
- InChI Key
- JAFGWHZDHQGLDS-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(C)C1C
CCC1 - Molecular Weight1
- 312.44
- 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 | -1018.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.96 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.401 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 595.44 | K | Relay (1.0) Calculated Property |
| Tfus | 256.23 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.00; 924.09] | J/mol×K | [742.28; 932.97] |
|
| Cp,gas | 827.00 | J/mol×K | 742.28 | Joback Calculated Property |
| Cp,gas | 846.16 | J/mol×K | 774.06 | Joback Calculated Property |
| Cp,gas | 864.09 | J/mol×K | 805.84 | Joback Calculated Property |
| Cp,gas | 880.82 | J/mol×K | 837.63 | Joback Calculated Property |
| Cp,gas | 896.39 | J/mol×K | 869.41 | Joback Calculated Property |
| Cp,gas | 910.80 | J/mol×K | 901.19 | Joback Calculated Property |
| Cp,gas | 924.09 | J/mol×K | 932.97 | Joback Calculated Property |
| η | [0.0000695; 0.0038090] | Pa×s | [358.18; 742.28] |
|
| η | 0.0038090 | Pa×s | 358.18 | Joback Calculated Property |
| η | 0.0011785 | Pa×s | 422.20 | Joback Calculated Property |
| η | 0.0004966 | Pa×s | 486.21 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 550.23 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 614.25 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 678.26 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 742.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 1-cyclopentylethyl 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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