- InChI
- InChI=1S/C18H25ClO4/c1-2-3-13-22-17(20)7-5-4-6-8-18(21)23-14-15-9-11-16(19)12-10-15/h9-12H,2-8,13-14H2,1H3
- InChI Key
- YSSKGULNCCDXQA-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CCCCOC(=O)CCCCCC(=O)OCc1ccc(Cl
)cc1 - Molecular Weight1
- 340.84
- 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 | 0.9145 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.677 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 635.68 | K | Relay (1.0) Calculated Property |
| Tc | 826.67 | K | Relay (1.0) Calculated Property |
| Tfus | 276.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.39; 860.00] | J/mol×K | [832.91; 1037.04] |
|
| Cp,gas | 788.39 | J/mol×K | 832.91 | Joback Calculated Property |
| Cp,gas | 802.92 | J/mol×K | 866.93 | Joback Calculated Property |
| Cp,gas | 816.38 | J/mol×K | 900.95 | Joback Calculated Property |
| Cp,gas | 828.80 | J/mol×K | 934.97 | Joback Calculated Property |
| Cp,gas | 840.20 | J/mol×K | 968.99 | Joback Calculated Property |
| Cp,gas | 850.59 | J/mol×K | 1003.02 | Joback Calculated Property |
| Cp,gas | 860.00 | J/mol×K | 1037.04 | Joback Calculated Property |
| η | [0.0000629; 0.0005954] | Pa×s | [505.80; 832.91] |
|
| η | 0.0005954 | Pa×s | 505.80 | Joback Calculated Property |
| η | 0.0003411 | Pa×s | 560.32 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 614.84 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 669.36 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 723.87 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 778.39 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 832.91 | Joback Calculated Property |
Similar Compounds
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Sources
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