- InChI
- InChI=1S/C23H37ClO3/c1-3-4-5-6-7-8-9-10-11-12-17-27-23(25)14-13-18-26-22-16-15-21(24)19-20(22)2/h15-16,19H,3-14,17-18H2,1-2H3
- InChI Key
- XNJZMRSIYQLCAX-UHFFFAOYSA-N
- Formula
- C23H37ClO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCOc1ccc(Cl
)cc1C - Molecular Weight1
- 396.99
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -114.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 7.272 | Crippen Calculated Property | |
| McVol | 336.720 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | kPa | Joback Calculated Property |
| Inp | 3424.00 | NIST | |
| Tboil | 898.42 | K | Joback Calculated Property |
| Tc | 1102.09 | K | Joback Calculated Property |
| Tfus | 524.74 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.40; 1153.27] | J/mol×K | [898.42; 1102.09] | 
|
| Cp,gas | 1067.40 | J/mol×K | 898.42 | Joback Calculated Property |
| Cp,gas | 1084.75 | J/mol×K | 932.36 | Joback Calculated Property |
| Cp,gas | 1100.84 | J/mol×K | 966.31 | Joback Calculated Property |
| Cp,gas | 1115.71 | J/mol×K | 1000.25 | Joback Calculated Property |
| Cp,gas | 1129.39 | J/mol×K | 1034.20 | Joback Calculated Property |
| Cp,gas | 1141.90 | J/mol×K | 1068.14 | Joback Calculated Property |
| Cp,gas | 1153.27 | J/mol×K | 1102.09 | Joback Calculated Property |
| η | [0.0000326; 0.0003707] | Pa×s | [524.74; 898.42] |
|
| η | 0.0003707 | Pa×s | 524.74 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 587.02 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 649.30 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 711.58 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 773.86 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 836.14 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 898.42 | Joback Calculated Property |
Similar Compounds
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Sources
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