- InChI
- InChI=1S/C17H33ClO2/c1-15(14-17(2,3)4)13-16(19)20-12-10-8-6-5-7-9-11-18/h15H,5-14H2,1-4H3
- InChI Key
- YHNYVZKZNOIRKW-UHFFFAOYSA-N
- Formula
- C17H33ClO2
- SMILES
- CC(CC(=O)OCCCCCCCCCl)CC(C)(C)C
- Molecular Weight1
- 304.90
- 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 | 0.7903 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.571 | Crippen Calculated Property | |
| McVol | 270.070 | ml/mol | McGowan Calculated Property |
| Pc | 1262.85 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 568.53 | K | Relay (1.0) Calculated Property |
| Tc | 767.02 | K | Relay (1.0) Calculated Property |
| Tfus | 268.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.92; 865.65] | J/mol×K | [698.41; 878.84] |
|
| Cp,gas | 769.92 | J/mol×K | 698.41 | Joback Calculated Property |
| Cp,gas | 788.08 | J/mol×K | 728.48 | Joback Calculated Property |
| Cp,gas | 805.31 | J/mol×K | 758.55 | Joback Calculated Property |
| Cp,gas | 821.65 | J/mol×K | 788.63 | Joback Calculated Property |
| Cp,gas | 837.13 | J/mol×K | 818.70 | Joback Calculated Property |
| Cp,gas | 851.79 | J/mol×K | 848.77 | Joback Calculated Property |
| Cp,gas | 865.65 | J/mol×K | 878.84 | Joback Calculated Property |
| η | [0.0000751; 0.0023699] | Pa×s | [370.85; 698.41] |
|
| η | 0.0023699 | Pa×s | 370.85 | Joback Calculated Property |
| η | 0.0009217 | Pa×s | 425.44 | Joback Calculated Property |
| η | 0.0004444 | Pa×s | 480.04 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 534.63 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 589.22 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 643.82 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 698.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 8-chlorooctyl ester.
Sources
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