- InChI
- InChI=1S/C19H34O4/c1-3-4-6-9-16(2)23-19(21)13-12-18(20)22-15-14-17-10-7-5-8-11-17/h16-17H,3-15H2,1-2H3
- InChI Key
- ORJFMHHATGGQLG-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OCCC1CCC
CC1 - Molecular Weight1
- 326.48
- 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 | -1029.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.34 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 282.590 | ml/mol | McGowan Calculated Property |
| Inp | [2279.00; 2279.00] |
|
|
| Inp | 2279.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Tboil | 626.75 | K | Relay (1.0) Calculated Property |
| Tfus | 263.88 | 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 | [906.26; 1001.23] | J/mol×K | [805.81; 1002.74] |
|
| Cp,gas | 906.26 | J/mol×K | 805.81 | Joback Calculated Property |
| Cp,gas | 925.21 | J/mol×K | 838.63 | Joback Calculated Property |
| Cp,gas | 942.89 | J/mol×K | 871.45 | Joback Calculated Property |
| Cp,gas | 959.30 | J/mol×K | 904.28 | Joback Calculated Property |
| Cp,gas | 974.49 | J/mol×K | 937.10 | Joback Calculated Property |
| Cp,gas | 988.46 | J/mol×K | 969.92 | Joback Calculated Property |
| Cp,gas | 1001.23 | J/mol×K | 1002.74 | Joback Calculated Property |
| η | [0.0000585; 0.0012775] | Pa×s | [440.59; 805.81] |
|
| η | 0.0012775 | Pa×s | 440.59 | Joback Calculated Property |
| η | 0.0005593 | Pa×s | 501.46 | Joback Calculated Property |
| η | 0.0002928 | Pa×s | 562.33 | Joback Calculated Property |
| η | 0.0001739 | Pa×s | 623.20 | Joback Calculated Property |
| η | 0.0001134 | Pa×s | 684.07 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 744.94 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 805.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 2-cyclohexylethyl 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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