- InChI
- InChI=1S/C23H43ClO4/c1-2-3-15-20-27-22(25)17-12-8-4-5-9-13-18-23(26)28-21-16-11-7-6-10-14-19-24/h2-21H2,1H3
- InChI Key
- MNTLAPUZOYVMPW-UHFFFAOYSA-N
- Formula
- C23H43ClO4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCl - Molecular Weight1
- 419.04
- 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 | 1.1927 | Relay (1.0) Calculated Property | |
| ΔfG° | -336.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1160.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.963 | Crippen Calculated Property | |
| McVol | 362.050 | ml/mol | McGowan Calculated Property |
| Pc | 880.00 | kPa | Joback Calculated Property |
| Inp | [3006.00; 3006.00] |
|
|
| Inp | 3006.00 | NIST | |
| Inp | 3006.00 | NIST | |
| Tboil | 644.07 | K | Relay (1.0) Calculated Property |
| Tc | 830.98 | K | Relay (1.0) Calculated Property |
| Tfus | 304.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.390 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1185.72; 1278.36] | J/mol×K | [915.65; 1122.22] |
|
| Cp,gas | 1185.72 | J/mol×K | 915.65 | Joback Calculated Property |
| Cp,gas | 1204.47 | J/mol×K | 950.08 | Joback Calculated Property |
| Cp,gas | 1221.85 | J/mol×K | 984.51 | Joback Calculated Property |
| Cp,gas | 1237.89 | J/mol×K | 1018.94 | Joback Calculated Property |
| Cp,gas | 1252.63 | J/mol×K | 1053.37 | Joback Calculated Property |
| Cp,gas | 1266.11 | J/mol×K | 1087.80 | Joback Calculated Property |
| Cp,gas | 1278.36 | J/mol×K | 1122.22 | Joback Calculated Property |
| η | [0.0000289; 0.0004614] | Pa×s | [523.21; 915.65] |
|
| η | 0.0004614 | Pa×s | 523.21 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 588.62 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 654.02 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 719.43 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 784.84 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 850.24 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 915.65 | Joback Calculated Property |
Similar Compounds
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Sources
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