- InChI
- InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-13,18-25H2,1-2H3
- InChI Key
- GGSURCIXQQGITI-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O
)OC - Molecular Weight1
- 388.63
- CAS
- 120650-77-3
- 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).
- 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 | 0.9640 | Relay (1.0) Calculated Property | |
| ΔfG° | 339.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.598 | Crippen Calculated Property | |
| McVol | 367.440 | ml/mol | McGowan Calculated Property |
| Pc | 892.13 | kPa | Joback Calculated Property |
| Tboil | 626.39 | K | Relay (1.0) Calculated Property |
| Tc | 824.44 | K | Relay (1.0) Calculated Property |
| Tfus | 326.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1183.03; 1287.36] | J/mol×K | [888.57; 1089.26] | 
|
| Cp,gas | 1183.03 | J/mol×K | 888.57 | Joback Calculated Property |
| Cp,gas | 1203.32 | J/mol×K | 922.02 | Joback Calculated Property |
| Cp,gas | 1222.39 | J/mol×K | 955.47 | Joback Calculated Property |
| Cp,gas | 1240.29 | J/mol×K | 988.91 | Joback Calculated Property |
| Cp,gas | 1257.05 | J/mol×K | 1022.36 | Joback Calculated Property |
| Cp,gas | 1272.73 | J/mol×K | 1055.81 | Joback Calculated Property |
| Cp,gas | 1287.36 | J/mol×K | 1089.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 10,12-pentacosadiynoate.
Sources
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