- InChI
- InChI=1S/C22H34O4/c1-4-7-8-9-10-11-12-13-14-15-19-25-21(23)17-18-22(24)26-20(6-3)16-5-2/h20H,4,6,9-15,17-19H2,1-3H3
- InChI Key
- SGUHSALCKRMBGJ-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OCCCCCCC
CC#CCC - Molecular Weight1
- 362.50
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8579 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.799 | Crippen Calculated Property | |
| McVol | 318.520 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | [2578.00; 2578.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Tboil | 606.80 | K | Relay (1.0) Calculated Property |
| Tc | 820.23 | K | Relay (1.0) Calculated Property |
| Tfus | 310.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.144 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.50; 1075.11] | J/mol×K | [872.90; 1076.99] |
|
| Cp,gas | 989.50 | J/mol×K | 872.90 | Joback Calculated Property |
| Cp,gas | 1006.68 | J/mol×K | 906.91 | Joback Calculated Property |
| Cp,gas | 1022.67 | J/mol×K | 940.93 | Joback Calculated Property |
| Cp,gas | 1037.48 | J/mol×K | 974.94 | Joback Calculated Property |
| Cp,gas | 1051.15 | J/mol×K | 1008.96 | Joback Calculated Property |
| Cp,gas | 1063.69 | J/mol×K | 1042.97 | Joback Calculated Property |
| Cp,gas | 1075.11 | J/mol×K | 1076.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl dodec-9-yn-1-yl ester.
Sources
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