- InChI
- InChI=1S/C21H29ClO4/c1-3-4-5-6-7-8-9-17(2)26-21(24)15-14-20(23)25-16-18-10-12-19(22)13-11-18/h10-15,17H,3-9,16H2,1-2H3/b15-14+
- InChI Key
- NVOYAEUJZJEODL-CCEZHUSRSA-N
- Formula
- C21H29ClO4
- SMILES
-
CCCCCCCCC(C)OC(=O)C=CC(=O)OCc1
ccc(Cl)cc1 - Molecular Weight1
- 380.91
- 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° | -173.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.622 | Crippen Calculated Property | |
| McVol | 305.810 | ml/mol | McGowan Calculated Property |
| Pc | 1272.78 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 905.27 | K | Joback Calculated Property |
| Tc | 1116.93 | K | Joback Calculated Property |
| Tfus | 519.53 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.13; 1009.98] | J/mol×K | [905.27; 1116.93] |
|
| Cp,gas | 937.13 | J/mol×K | 905.27 | Joback Calculated Property |
| Cp,gas | 951.97 | J/mol×K | 940.55 | Joback Calculated Property |
| Cp,gas | 965.68 | J/mol×K | 975.82 | Joback Calculated Property |
| Cp,gas | 978.29 | J/mol×K | 1011.10 | Joback Calculated Property |
| Cp,gas | 989.85 | J/mol×K | 1046.37 | Joback Calculated Property |
| Cp,gas | 1000.40 | J/mol×K | 1081.65 | Joback Calculated Property |
| Cp,gas | 1009.98 | J/mol×K | 1116.93 | Joback Calculated Property |
| η | [0.0000326; 0.0004472] | Pa×s | [519.53; 905.27] |
|
| η | 0.0004472 | Pa×s | 519.53 | Joback Calculated Property |
| η | 0.0002273 | Pa×s | 583.82 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 648.11 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 712.40 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 776.69 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 840.98 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 905.27 | Joback Calculated Property |
Similar Compounds
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Sources
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