- InChI
- InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3
- InChI Key
- WJYYNLNKYUALCD-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
C#CCCCCCCCCCC - Molecular Weight1
- 488.74
- 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 | 1.2271 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.312 | Crippen Calculated Property | |
| McVol | 445.330 | ml/mol | McGowan Calculated Property |
| Pc | 699.13 | kPa | Joback Calculated Property |
| Inp | [3620.00; 3620.00] |
|
|
| Inp | 3620.00 | NIST | |
| Inp | 3620.00 | NIST | |
| Tboil | 679.52 | K | Relay (1.0) Calculated Property |
| Tc | 878.39 | K | Relay (1.0) Calculated Property |
| Tfus | 325.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1554.42; 1644.08] | J/mol×K | [1079.26; 1337.04] |
|
| Cp,gas | 1554.42 | J/mol×K | 1079.26 | Joback Calculated Property |
| Cp,gas | 1574.47 | J/mol×K | 1122.22 | Joback Calculated Property |
| Cp,gas | 1592.36 | J/mol×K | 1165.19 | Joback Calculated Property |
| Cp,gas | 1608.18 | J/mol×K | 1208.15 | Joback Calculated Property |
| Cp,gas | 1622.01 | J/mol×K | 1251.11 | Joback Calculated Property |
| Cp,gas | 1633.95 | J/mol×K | 1294.07 | Joback Calculated Property |
| Cp,gas | 1644.08 | J/mol×K | 1337.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(tridec-2-ynyl) ester.
Sources
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