- InChI
- InChI=1S/C19H36O4/c1-5-8-10-12-16(4)22-18(20)14-15-19(21)23-17(11-7-3)13-9-6-2/h16-17H,5-15H2,1-4H3
- InChI Key
- HCPRGMPMMJAOEV-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(CCC)C
CCC - Molecular Weight1
- 328.49
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1077.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.181 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Inp | [2019.00; 2019.00] |
|
|
| Inp | 2019.00 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 581.27 | K | Relay (1.0) Calculated Property |
| Tc | 763.54 | K | Relay (1.0) Calculated Property |
| Tfus | 232.69 | 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 | [893.18; 988.04] | J/mol×K | [749.88; 927.09] |
|
| Cp,gas | 893.18 | J/mol×K | 749.88 | Joback Calculated Property |
| Cp,gas | 911.53 | J/mol×K | 779.42 | Joback Calculated Property |
| Cp,gas | 928.84 | J/mol×K | 808.95 | Joback Calculated Property |
| Cp,gas | 945.13 | J/mol×K | 838.49 | Joback Calculated Property |
| Cp,gas | 960.42 | J/mol×K | 868.02 | Joback Calculated Property |
| Cp,gas | 974.72 | J/mol×K | 897.56 | Joback Calculated Property |
| Cp,gas | 988.04 | J/mol×K | 927.09 | Joback Calculated Property |
| η | [0.0000415; 0.0030574] | Pa×s | [358.55; 749.88] |
|
| η | 0.0030574 | Pa×s | 358.55 | Joback Calculated Property |
| η | 0.0008601 | Pa×s | 423.77 | Joback Calculated Property |
| η | 0.0003394 | Pa×s | 488.99 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 554.21 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 619.44 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 684.66 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 749.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 4-octyl 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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