- InChI
- InChI=1S/C23H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-22(25)17-16-18-23(26)28-20-21(2)24/h21H,3-20H2,1-2H3
- InChI Key
- FVVUIMQDOYICRD-UHFFFAOYSA-N
- Formula
- C23H43ClO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)O
CC(C)Cl - 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 | 1.1540 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.962 | Crippen Calculated Property | |
| McVol | 362.050 | ml/mol | McGowan Calculated Property |
| Pc | 884.19 | kPa | Joback Calculated Property |
| Inp | [2910.00; 2910.00] |
|
|
| Inp | 2910.00 | NIST | |
| Inp | 2910.00 | NIST | |
| Tboil | 650.46 | K | Relay (1.0) Calculated Property |
| Tc | 827.11 | K | Relay (1.0) Calculated Property |
| Tfus | 309.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1186.14; 1278.23] | J/mol×K | [915.21; 1121.16] |
|
| Cp,gas | 1186.14 | J/mol×K | 915.21 | Joback Calculated Property |
| Cp,gas | 1204.81 | J/mol×K | 949.54 | Joback Calculated Property |
| Cp,gas | 1222.10 | J/mol×K | 983.86 | Joback Calculated Property |
| Cp,gas | 1238.06 | J/mol×K | 1018.19 | Joback Calculated Property |
| Cp,gas | 1252.71 | J/mol×K | 1052.51 | Joback Calculated Property |
| Cp,gas | 1266.08 | J/mol×K | 1086.84 | Joback Calculated Property |
| Cp,gas | 1278.23 | J/mol×K | 1121.16 | Joback Calculated Property |
| η | [0.0000263; 0.0005261] | Pa×s | [508.21; 915.21] |
|
| η | 0.0005261 | Pa×s | 508.21 | Joback Calculated Property |
| η | 0.0002381 | Pa×s | 576.04 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 643.88 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 711.71 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 779.54 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 847.38 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 915.21 | Joback Calculated Property |
Similar Compounds
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Sources
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