- InChI
- InChI=1S/C20H34O4/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,18H,4,6-17H2,1,3H3
- InChI Key
- JMFFYRMCXQYNSI-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
CCC - Molecular Weight1
- 338.48
- 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° | -129.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.796 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | 2312.00 | NIST | |
| Tboil | 799.26 | K | Joback Calculated Property |
| Tc | 985.84 | K | Joback Calculated Property |
| Tfus | 491.45 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [914.25; 1003.62] | J/mol×K | [799.26; 985.84] | 
|
| Cp,gas | 914.25 | J/mol×K | 799.26 | Joback Calculated Property |
| Cp,gas | 931.55 | J/mol×K | 830.36 | Joback Calculated Property |
| Cp,gas | 947.86 | J/mol×K | 861.45 | Joback Calculated Property |
| Cp,gas | 963.20 | J/mol×K | 892.55 | Joback Calculated Property |
| Cp,gas | 977.60 | J/mol×K | 923.65 | Joback Calculated Property |
| Cp,gas | 991.06 | J/mol×K | 954.75 | Joback Calculated Property |
| Cp,gas | 1003.62 | J/mol×K | 985.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl undecyl ester.
Sources
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