- InChI
- InChI=1S/C19H26O5/c1-4-5-6-7-14(2)23-18(21)12-13-19(22)24-17-10-8-16(9-11-17)15(3)20/h8-11,14H,4-7,12-13H2,1-3H3
- InChI Key
- DLAJRXXVRCSIPB-UHFFFAOYSA-N
- Formula
- C19H26O5
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(C
(C)=O)cc1 - Molecular Weight1
- 334.41
- 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 | -962.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.087 | Crippen Calculated Property | |
| McVol | 271.260 | ml/mol | McGowan Calculated Property |
| Inp | [2535.00; 2535.00] |
|
|
| Inp | 2535.00 | NIST | |
| Inp | 2535.00 | NIST | |
| Tboil | 630.88 | K | Relay (1.0) Calculated Property |
| Tfus | 322.67 | 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 | [824.82; 894.03] | J/mol×K | [835.85; 1040.10] |
|
| Cp,gas | 824.82 | J/mol×K | 835.85 | Joback Calculated Property |
| Cp,gas | 839.35 | J/mol×K | 869.89 | Joback Calculated Property |
| Cp,gas | 852.66 | J/mol×K | 903.93 | Joback Calculated Property |
| Cp,gas | 864.75 | J/mol×K | 937.97 | Joback Calculated Property |
| Cp,gas | 875.67 | J/mol×K | 972.01 | Joback Calculated Property |
| Cp,gas | 885.42 | J/mol×K | 1006.06 | Joback Calculated Property |
| Cp,gas | 894.03 | J/mol×K | 1040.10 | Joback Calculated Property |
| η | [0.0000429; 0.0008954] | Pa×s | [462.42; 835.85] |
|
| η | 0.0008954 | Pa×s | 462.42 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 524.66 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 586.90 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 649.13 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 711.37 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 773.61 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 835.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 4-acetylphenyl 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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