- InChI
- InChI=1S/C28H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-26H2,1-2H3/b17-13-,18-14-
- InChI Key
- NHRKLPJLAZTUKG-JTFWXBGUSA-N
- Formula
- C28H50O4
- SMILES
-
CCCCCC=CCCOC(=O)CCCCCCCCC(=O)O
CCC=CCCCCC - Molecular Weight1
- 450.69
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -122.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -876.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.15 | kJ/mol | Joback Calculated Property |
| log10WS | -8.98 | Crippen Calculated Property | |
| logPoct/wat | 8.247 | Crippen Calculated Property | |
| McVol | 411.660 | ml/mol | McGowan Calculated Property |
| Pc | 726.53 | kPa | Joback Calculated Property |
| Inp | 3170.00 | NIST | |
| Tboil | 1000.94 | K | Joback Calculated Property |
| Tc | 1236.34 | K | Joback Calculated Property |
| Tfus | 539.48 | K | Joback Calculated Property |
| Vc | 1.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1418.29; 1526.96] | J/mol×K | [1000.94; 1236.34] | 
|
| Cp,gas | 1418.29 | J/mol×K | 1000.94 | Joback Calculated Property |
| Cp,gas | 1439.94 | J/mol×K | 1040.17 | Joback Calculated Property |
| Cp,gas | 1460.04 | J/mol×K | 1079.41 | Joback Calculated Property |
| Cp,gas | 1478.68 | J/mol×K | 1118.64 | Joback Calculated Property |
| Cp,gas | 1495.98 | J/mol×K | 1157.87 | Joback Calculated Property |
| Cp,gas | 1512.04 | J/mol×K | 1197.11 | Joback Calculated Property |
| Cp,gas | 1526.96 | J/mol×K | 1236.34 | Joback Calculated Property |
| η | [0.0000122; 0.0002721] | Pa×s | [539.48; 1000.94] |
|
| η | 0.0002721 | Pa×s | 539.48 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 616.39 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 693.30 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 770.21 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 847.12 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 924.03 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1000.94 | Joback Calculated Property |
Similar Compounds
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Sources
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