- InChI
- InChI=1S/C27H51ClO4/c1-2-3-4-14-19-24-31-26(29)21-16-11-7-8-12-17-22-27(30)32-25-20-15-10-6-5-9-13-18-23-28/h2-25H2,1H3
- InChI Key
- VMGWHHYXOKLGJO-UHFFFAOYSA-N
- Formula
- C27H51ClO4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)OCCC
CCCCCCCCl - Molecular Weight1
- 475.14
- ω : Acentric Factor.
- 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).
- 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 | 1.3327 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1240.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.524 | Crippen Calculated Property | |
| McVol | 418.410 | ml/mol | McGowan Calculated Property |
| Pc | 709.22 | kPa | Joback Calculated Property |
| Inp | [3406.00; 3406.00] |
|
|
| Inp | 3406.00 | NIST | |
| Inp | 3406.00 | NIST | |
| Tboil | 670.29 | K | Relay (1.0) Calculated Property |
| Tc | 856.95 | K | Relay (1.0) Calculated Property |
| Tfus | 315.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.610 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1439.54; 1537.98] | J/mol×K | [1007.17; 1250.03] |
|
| Cp,gas | 1439.54 | J/mol×K | 1007.17 | Joback Calculated Property |
| Cp,gas | 1460.65 | J/mol×K | 1047.65 | Joback Calculated Property |
| Cp,gas | 1479.77 | J/mol×K | 1088.12 | Joback Calculated Property |
| Cp,gas | 1496.99 | J/mol×K | 1128.60 | Joback Calculated Property |
| Cp,gas | 1512.38 | J/mol×K | 1169.08 | Joback Calculated Property |
| Cp,gas | 1526.02 | J/mol×K | 1209.55 | Joback Calculated Property |
| Cp,gas | 1537.98 | J/mol×K | 1250.03 | Joback Calculated Property |
| η | [0.0000153; 0.0002741] | Pa×s | [568.29; 1007.17] |
|
| η | 0.0002741 | Pa×s | 568.29 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 641.44 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 714.58 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 787.73 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 860.88 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 934.02 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 1007.17 | Joback Calculated Property |
Similar Compounds
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Sources
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