- InChI
- InChI=1S/C21H36O4/c1-6-7-8-12-19(5)25-21(23)14-13-20(22)24-16-15-18(4)11-9-10-17(2)3/h10,15,19H,6-9,11-14,16H2,1-5H3/b18-15-
- InChI Key
- UGZADRPOGUMZED-SDXDJHTJSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OCC=C(C)
CCC=C(C)C - Molecular Weight1
- 352.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -201.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.514 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1096.44 | kPa | Joback Calculated Property |
| Inp | [2311.00; 2311.00] |
|
|
| Inp | 2311.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Tboil | 840.10 | K | Joback Calculated Property |
| Tc | 1034.15 | K | Joback Calculated Property |
| Tfus | 417.67 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.21; 1070.48] | J/mol×K | [840.10; 1034.15] |
|
| Cp,gas | 978.21 | J/mol×K | 840.10 | Joback Calculated Property |
| Cp,gas | 996.00 | J/mol×K | 872.44 | Joback Calculated Property |
| Cp,gas | 1012.76 | J/mol×K | 904.78 | Joback Calculated Property |
| Cp,gas | 1028.55 | J/mol×K | 937.13 | Joback Calculated Property |
| Cp,gas | 1043.41 | J/mol×K | 969.47 | Joback Calculated Property |
| Cp,gas | 1057.37 | J/mol×K | 1001.81 | Joback Calculated Property |
| Cp,gas | 1070.48 | J/mol×K | 1034.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl neryl ester.
Sources
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