- InChI
- InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-16-27-21(25)23(5-2,6-3)22(26)28-18-19-14-13-15-20(24)17-19/h13-15,17H,4-12,16,18H2,1-3H3
- InChI Key
- KFINDQZOISRXKY-UHFFFAOYSA-N
- Formula
- C23H35ClO4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
Cc1cccc(Cl)c1 - Molecular Weight1
- 410.98
- 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 | 0.9780 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.483 | Crippen Calculated Property | |
| McVol | 338.290 | ml/mol | McGowan Calculated Property |
| Pc | 1084.92 | kPa | Joback Calculated Property |
| Inp | 2644.00 | NIST | |
| Tboil | 655.00 | K | Relay (1.0) Calculated Property |
| Tc | 870.82 | K | Relay (1.0) Calculated Property |
| Tfus | 288.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.221 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.19; 1161.61] | J/mol×K | [944.08; 1158.58] | 
|
| Cp,gas | 1085.19 | J/mol×K | 944.08 | Joback Calculated Property |
| Cp,gas | 1100.85 | J/mol×K | 979.83 | Joback Calculated Property |
| Cp,gas | 1115.26 | J/mol×K | 1015.58 | Joback Calculated Property |
| Cp,gas | 1128.49 | J/mol×K | 1051.33 | Joback Calculated Property |
| Cp,gas | 1140.58 | J/mol×K | 1087.08 | Joback Calculated Property |
| Cp,gas | 1151.60 | J/mol×K | 1122.83 | Joback Calculated Property |
| Cp,gas | 1161.61 | J/mol×K | 1158.58 | Joback Calculated Property |
| η | [0.0000232; 0.0003023] | Pa×s | [564.57; 944.08] |
|
| η | 0.0003023 | Pa×s | 564.57 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 627.82 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 691.07 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 754.32 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 817.58 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 880.83 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 944.08 | Joback Calculated Property |
Similar Compounds
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Sources
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