- InChI
- InChI=1S/C18H34O4/c1-7-8-9-10-15(6)21-16(19)11-12-17(20)22-18(13(2)3)14(4)5/h13-15,18H,7-12H2,1-6H3
- InChI Key
- YLWTUUUIDZMXKX-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(C(C)C
)C(C)C - Molecular Weight1
- 314.46
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -1062.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.502 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1905.00; 1905.00] |
|
|
| Inp | 1905.00 | NIST | |
| Inp | 1905.00 | NIST | |
| Tboil | 572.31 | K | Relay (1.0) Calculated Property |
| Tc | 745.83 | K | Relay (1.0) Calculated Property |
| Tfus | 241.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [835.18; 930.49] | J/mol×K | [726.12; 905.67] |
|
| Cp,gas | 835.18 | J/mol×K | 726.12 | Joback Calculated Property |
| Cp,gas | 853.63 | J/mol×K | 756.04 | Joback Calculated Property |
| Cp,gas | 871.03 | J/mol×K | 785.97 | Joback Calculated Property |
| Cp,gas | 887.40 | J/mol×K | 815.89 | Joback Calculated Property |
| Cp,gas | 902.76 | J/mol×K | 845.82 | Joback Calculated Property |
| Cp,gas | 917.12 | J/mol×K | 875.74 | Joback Calculated Property |
| Cp,gas | 930.49 | J/mol×K | 905.67 | Joback Calculated Property |
| η | [0.0000411; 0.0075264] | Pa×s | [317.28; 726.12] |
|
| η | 0.0075264 | Pa×s | 317.28 | Joback Calculated Property |
| η | 0.0014658 | Pa×s | 385.42 | Joback Calculated Property |
| η | 0.0004667 | Pa×s | 453.56 | Joback Calculated Property |
| η | 0.0002004 | Pa×s | 521.70 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 589.84 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 657.98 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 726.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 2,4-dimethylpent-3-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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