- InChI
- InChI=1S/C23H36O4/c1-7-9-12-20(16-18(3)4)26-22(24)14-11-15-23(25)27-21(13-10-8-2)17-19(5)6/h18-21H,7-8,11,14-17H2,1-6H3
- InChI Key
- DIFUAHJLIWCQQI-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
(C#CCC)CC(C)C - Molecular Weight1
- 376.53
- 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 | 0.7661 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.899 | Crippen Calculated Property | |
| McVol | 332.610 | ml/mol | McGowan Calculated Property |
| Pc | 1124.57 | kPa | Joback Calculated Property |
| Inp | [3477.00; 3477.00] |
|
|
| Inp | 3477.00 | NIST | |
| Inp | 3477.00 | NIST | |
| Tboil | 595.53 | K | Relay (1.0) Calculated Property |
| Tc | 796.63 | K | Relay (1.0) Calculated Property |
| Tfus | 282.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.173 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1051.67; 1138.00] | J/mol×K | [894.46; 1104.25] |
|
| Cp,gas | 1051.67 | J/mol×K | 894.46 | Joback Calculated Property |
| Cp,gas | 1069.30 | J/mol×K | 929.42 | Joback Calculated Property |
| Cp,gas | 1085.60 | J/mol×K | 964.39 | Joback Calculated Property |
| Cp,gas | 1100.60 | J/mol×K | 999.35 | Joback Calculated Property |
| Cp,gas | 1114.32 | J/mol×K | 1034.32 | Joback Calculated Property |
| Cp,gas | 1126.78 | J/mol×K | 1069.28 | Joback Calculated Property |
| Cp,gas | 1138.00 | J/mol×K | 1104.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-methyloct-5-yn-4-yl) ester.
Sources
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