- InChI
- InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-10-12-15-20-25-32-27(30)22-17-18-23-28(31)33-26-21-16-13-11-14-19-24-29/h2-26H2,1H3
- InChI Key
- NECYQUIQLJYGQL-UHFFFAOYSA-N
- Formula
- C28H53ClO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O
CCCCCCCCCl - Molecular Weight1
- 489.17
- 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° | -294.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1126.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.62 | kJ/mol | Joback Calculated Property |
| log10WS | -9.42 | Crippen Calculated Property | |
| logPoct/wat | 8.914 | Crippen Calculated Property | |
| McVol | 432.500 | ml/mol | McGowan Calculated Property |
| Pc | 674.30 | kPa | Joback Calculated Property |
| Inp | 3458.00 | NIST | |
| Tboil | 1030.05 | K | Joback Calculated Property |
| Tc | 1285.34 | K | Joback Calculated Property |
| Tfus | 579.56 | K | Joback Calculated Property |
| Vc | 1.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.95; 1603.70] | J/mol×K | [1030.05; 1285.34] | 
|
| Cp,gas | 1503.95 | J/mol×K | 1030.05 | Joback Calculated Property |
| Cp,gas | 1525.75 | J/mol×K | 1072.60 | Joback Calculated Property |
| Cp,gas | 1545.36 | J/mol×K | 1115.15 | Joback Calculated Property |
| Cp,gas | 1562.86 | J/mol×K | 1157.70 | Joback Calculated Property |
| Cp,gas | 1578.35 | J/mol×K | 1200.25 | Joback Calculated Property |
| Cp,gas | 1591.94 | J/mol×K | 1242.80 | Joback Calculated Property |
| Cp,gas | 1603.70 | J/mol×K | 1285.34 | Joback Calculated Property |
| η | [0.0000130; 0.0002392] | Pa×s | [579.56; 1030.05] |
|
| η | 0.0002392 | Pa×s | 579.56 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 654.64 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 729.72 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 804.81 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 879.89 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 954.97 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 1030.05 | Joback Calculated Property |
Similar Compounds
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Sources
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