- InChI
- InChI=1S/C13H24O3/c1-11(8-9-15-2)10-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
- InChI Key
- GKGFDAYVMUTBPY-UHFFFAOYSA-N
- Formula
- C13H24O3
- SMILES
- COCCC(C)COC(=O)C1CCCCC1
- Molecular Weight1
- 228.33
- 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° | -258.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.783 | Crippen Calculated Property | |
| McVol | 196.480 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | 1646.00 | NIST | |
| Tboil | 614.66 | K | Joback Calculated Property |
| Tc | 813.47 | K | Joback Calculated Property |
| Tfus | 323.04 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.20; 638.04] | J/mol×K | [614.66; 813.47] | 
|
| Cp,gas | 536.20 | J/mol×K | 614.66 | Joback Calculated Property |
| Cp,gas | 555.68 | J/mol×K | 647.80 | Joback Calculated Property |
| Cp,gas | 574.15 | J/mol×K | 680.93 | Joback Calculated Property |
| Cp,gas | 591.61 | J/mol×K | 714.07 | Joback Calculated Property |
| Cp,gas | 608.07 | J/mol×K | 747.20 | Joback Calculated Property |
| Cp,gas | 623.55 | J/mol×K | 780.34 | Joback Calculated Property |
| Cp,gas | 638.04 | J/mol×K | 813.47 | Joback Calculated Property |
| η | [0.0001334; 0.0033120] | Pa×s | [323.04; 614.66] |
|
| η | 0.0033120 | Pa×s | 323.04 | Joback Calculated Property |
| η | 0.0013664 | Pa×s | 371.64 | Joback Calculated Property |
| η | 0.0006918 | Pa×s | 420.25 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 468.85 | Joback Calculated Property |
| η | 0.0002603 | Pa×s | 517.45 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 566.06 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 614.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-2-methylbutyl ester.
Sources
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