- InChI
- InChI=1S/C12H22O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h11H,2-10H2,1H3
- InChI Key
- DTNOERNOMHQUCN-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCC(=O)OC1CCCCC1
- Molecular Weight1
- 198.30
- CAS
- 6243-10-3
- Other Names
-
- Cyclohexyl hexanoate
- Cyclohexyl caproate
- Cyclohexyl n-hexanoate
- 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.
- I : 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 | 0.5781 | Relay (... Calculated Property | |
| ΔfG° | -159.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.70 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1398.00; 1411.00] |
|
|
| Inp | 1398.00 | NIST | |
| Inp | 1411.00 | NIST | |
| I | [1695.00; 1695.00] |
|
|
| I | 1695.00 | NIST | |
| I | 1695.00 | NIST | |
| Tboil | 517.04 | K | Relay (... Calculated Property |
| Tc | 727.25 | K | Relay (... Calculated Property |
| Tfus | 231.70 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.49; 554.70] | J/mol×K | [569.80; 769.23] |
|
| Cp,gas | 454.49 | J/mol×K | 569.80 | Joback Calculated Property |
| Cp,gas | 473.57 | J/mol×K | 603.04 | Joback Calculated Property |
| Cp,gas | 491.68 | J/mol×K | 636.28 | Joback Calculated Property |
| Cp,gas | 508.82 | J/mol×K | 669.52 | Joback Calculated Property |
| Cp,gas | 525.03 | J/mol×K | 702.75 | Joback Calculated Property |
| Cp,gas | 540.32 | J/mol×K | 735.99 | Joback Calculated Property |
| Cp,gas | 554.70 | J/mol×K | 769.23 | Joback Calculated Property |
| η | [0.0002015; 0.0038673] | Pa×s | [304.54; 569.80] |
|
| η | 0.0038673 | Pa×s | 304.54 | Joback Calculated Property |
| η | 0.0017297 | Pa×s | 348.75 | Joback Calculated Property |
| η | 0.0009272 | Pa×s | 392.96 | Joback Calculated Property |
| η | 0.0005638 | Pa×s | 437.17 | Joback Calculated Property |
| η | 0.0003757 | Pa×s | 481.38 | Joback Calculated Property |
| η | 0.0002680 | Pa×s | 525.59 | Joback Calculated Property |
| η | 0.0002015 | Pa×s | 569.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, cyclohexyl ester.
Sources
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