- InChI
- InChI=1S/C31H56O4/c1-3-5-7-9-11-12-13-17-21-25-29-35-31(33)27-23-19-15-14-18-22-26-30(32)34-28-24-20-16-10-8-6-4-2/h3-4,6,8-29H2,1-2H3
- InChI Key
- IBLXXXAFXKVHCX-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=
O)OCCCCCCCCC - Molecular Weight1
- 492.77
- 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° | -54.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 84.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.06 | kJ/mol | Joback Calculated Property |
| log10WS | -10.32 | Crippen Calculated Property | |
| logPoct/wat | 9.088 | Crippen Calculated Property | |
| McVol | 453.930 | ml/mol | McGowan Calculated Property |
| Pc | 643.53 | kPa | Joback Calculated Property |
| Inp | [3559.00; 3559.00] |
|
|
| Inp | 3559.00 | NIST | |
| Inp | 3559.00 | NIST | |
| Tboil | 1070.26 | K | Joback Calculated Property |
| Tc | 1338.77 | K | Joback Calculated Property |
| Tfus | 689.55 | K | Joback Calculated Property |
| Vc | 1.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1612.93; 1712.74] | J/mol×K | [1070.26; 1338.77] |
|
| Cp,gas | 1612.93 | J/mol×K | 1070.26 | Joback Calculated Property |
| Cp,gas | 1635.32 | J/mol×K | 1115.01 | Joback Calculated Property |
| Cp,gas | 1655.25 | J/mol×K | 1159.76 | Joback Calculated Property |
| Cp,gas | 1672.85 | J/mol×K | 1204.52 | Joback Calculated Property |
| Cp,gas | 1688.22 | J/mol×K | 1249.27 | Joback Calculated Property |
| Cp,gas | 1701.48 | J/mol×K | 1294.02 | Joback Calculated Property |
| Cp,gas | 1712.74 | J/mol×K | 1338.77 | Joback Calculated Property |
Similar Compounds
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Sources
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