- InChI
- InChI=1S/C23H34O4/c1-3-6-20(4-2)27-22(25)8-5-7-21(24)26-10-9-23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,4-5,7-16H2,1-2H3
- InChI Key
- LQUDWJLSVQGQCZ-UHFFFAOYSA-N
- Formula
- C23H34O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCC12C
C3CC(CC(C3)C1)C2 - Molecular Weight1
- 374.51
- 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 | 0.7725 | Relay (... Calculated Property | |
| ΔfG° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -5.56 | Relay (... Calculated Property | |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 672.62 | K | Relay (... Calculated Property |
| Tc | 914.26 | K | Relay (... Calculated Property |
| Tfus | 437.44 | K | Relay (... Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1060.33; 1190.48] | J/mol×K | [906.84; 1126.95] |
|
| Cp,gas | 1060.33 | J/mol×K | 906.84 | Joback Calculated Property |
| Cp,gas | 1082.24 | J/mol×K | 943.53 | Joback Calculated Property |
| Cp,gas | 1103.80 | J/mol×K | 980.21 | Joback Calculated Property |
| Cp,gas | 1125.21 | J/mol×K | 1016.90 | Joback Calculated Property |
| Cp,gas | 1146.67 | J/mol×K | 1053.58 | Joback Calculated Property |
| Cp,gas | 1168.36 | J/mol×K | 1090.27 | Joback Calculated Property |
| Cp,gas | 1190.48 | J/mol×K | 1126.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl hex-4-yn-3-yl ester.
Sources
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