- InChI
- InChI=1S/C17H29ClO4/c1-3-15(2)22-17(20)12-10-11-16(19)21-14-9-7-5-4-6-8-13-18/h3,15H,1,4-14H2,2H3
- InChI Key
- YQLZRXWPQLLFFA-UHFFFAOYSA-N
- Formula
- C17H29ClO4
- SMILES
-
C=CC(C)OC(=O)CCCC(=O)OCCCCCCCC
Cl - Molecular Weight1
- 332.86
- 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 | 0.8957 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -956.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.397 | Crippen Calculated Property | |
| McVol | 273.210 | ml/mol | McGowan Calculated Property |
| Pc | 1327.14 | kPa | Joback Calculated Property |
| Inp | [2265.00; 2265.00] |
|
|
| Inp | 2265.00 | NIST | |
| Inp | 2265.00 | NIST | |
| Tboil | 607.90 | K | Relay (1.0) Calculated Property |
| Tc | 779.56 | K | Relay (1.0) Calculated Property |
| Tfus | 274.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.002 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.02; 878.21] | J/mol×K | [774.61; 960.05] |
|
| Cp,gas | 797.02 | J/mol×K | 774.61 | Joback Calculated Property |
| Cp,gas | 812.76 | J/mol×K | 805.52 | Joback Calculated Property |
| Cp,gas | 827.59 | J/mol×K | 836.42 | Joback Calculated Property |
| Cp,gas | 841.54 | J/mol×K | 867.33 | Joback Calculated Property |
| Cp,gas | 854.61 | J/mol×K | 898.23 | Joback Calculated Property |
| Cp,gas | 866.83 | J/mol×K | 929.14 | Joback Calculated Property |
| Cp,gas | 878.21 | J/mol×K | 960.05 | Joback Calculated Property |
| η | [0.0000692; 0.0010911] | Pa×s | [438.83; 774.61] |
|
| η | 0.0010911 | Pa×s | 438.83 | Joback Calculated Property |
| η | 0.0005313 | Pa×s | 494.79 | Joback Calculated Property |
| η | 0.0002995 | Pa×s | 550.76 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 606.72 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 662.68 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 718.65 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 774.61 | Joback Calculated Property |
Similar Compounds
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Sources
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