- InChI
- InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h21H,2,5-20H2,1H3
- InChI Key
- TZQGZLNNKCTVNK-UHFFFAOYSA-N
- Formula
- C23H38O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCC(=O)OCC1
CCCCC1 - Molecular Weight1
- 378.55
- 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° | -97.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 5.577 | Crippen Calculated Property | |
| McVol | 330.350 | ml/mol | McGowan Calculated Property |
| Pc | 1134.43 | kPa | Joback Calculated Property |
| Inp | [2847.00; 2847.00] |
|
|
| Inp | 2847.00 | NIST | |
| Inp | 2847.00 | NIST | |
| Tboil | 906.77 | K | Joback Calculated Property |
| Tc | 1116.06 | K | Joback Calculated Property |
| Tfus | 606.77 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.14; 1187.71] | J/mol×K | [906.77; 1116.06] |
|
| Cp,gas | 1099.14 | J/mol×K | 906.77 | Joback Calculated Property |
| Cp,gas | 1117.50 | J/mol×K | 941.65 | Joback Calculated Property |
| Cp,gas | 1134.37 | J/mol×K | 976.53 | Joback Calculated Property |
| Cp,gas | 1149.80 | J/mol×K | 1011.41 | Joback Calculated Property |
| Cp,gas | 1163.81 | J/mol×K | 1046.29 | Joback Calculated Property |
| Cp,gas | 1176.44 | J/mol×K | 1081.18 | Joback Calculated Property |
| Cp,gas | 1187.71 | J/mol×K | 1116.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl dodec-9-yn-1-yl ester.
Sources
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