- InChI
- InChI=1S/C21H36O5/c1-3-5-6-7-8-9-10-11-12-13-14-17-25-20(22)15-16-21(23)26-19-18-24-4-2/h3-12,15-19H2,1-2H3
- InChI Key
- CAFPMDPIWJWYQM-UHFFFAOYSA-N
- Formula
- C21H36O5
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OCC
OCC - Molecular Weight1
- 368.51
- 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 | 0.9960 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -927.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.424 | Crippen Calculated Property | |
| McVol | 318.900 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | 2595.00 | NIST | |
| Tboil | 625.79 | K | Relay (1.0) Calculated Property |
| Tc | 807.40 | K | Relay (1.0) Calculated Property |
| Tfus | 278.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.188 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.84; 1096.91] | J/mol×K | [863.88; 1059.75] | 
|
| Cp,gas | 1010.84 | J/mol×K | 863.88 | Joback Calculated Property |
| Cp,gas | 1028.15 | J/mol×K | 896.52 | Joback Calculated Property |
| Cp,gas | 1044.27 | J/mol×K | 929.17 | Joback Calculated Property |
| Cp,gas | 1059.19 | J/mol×K | 961.81 | Joback Calculated Property |
| Cp,gas | 1072.94 | J/mol×K | 994.46 | Joback Calculated Property |
| Cp,gas | 1085.51 | J/mol×K | 1027.10 | Joback Calculated Property |
| Cp,gas | 1096.91 | J/mol×K | 1059.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-ethoxyethyl 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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