- InChI
- InChI=1S/C12H22O3/c1-3-4-9-15-12(13)10-5-7-11(14-2)8-6-10/h10-11H,3-9H2,1-2H3
- InChI Key
- RWMKKRUZLLRKQE-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CCCCOC(=O)C1CCC(OC)CC1
- Molecular Weight1
- 214.30
- 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° | -272.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.535 | Crippen Calculated Property | |
| McVol | 182.390 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | 1542.00 | NIST | |
| Tboil | 587.55 | K | Joback Calculated Property |
| Tc | 785.10 | K | Joback Calculated Property |
| Tfus | 322.53 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.16; 584.69] | J/mol×K | [587.55; 785.10] | 
|
| Cp,gas | 484.16 | J/mol×K | 587.55 | Joback Calculated Property |
| Cp,gas | 503.22 | J/mol×K | 620.48 | Joback Calculated Property |
| Cp,gas | 521.36 | J/mol×K | 653.40 | Joback Calculated Property |
| Cp,gas | 538.58 | J/mol×K | 686.33 | Joback Calculated Property |
| Cp,gas | 554.87 | J/mol×K | 719.25 | Joback Calculated Property |
| Cp,gas | 570.24 | J/mol×K | 752.18 | Joback Calculated Property |
| Cp,gas | 584.69 | J/mol×K | 785.10 | Joback Calculated Property |
| η | [0.0001831; 0.0022926] | Pa×s | [322.53; 587.55] |
|
| η | 0.0022926 | Pa×s | 322.53 | Joback Calculated Property |
| η | 0.0011673 | Pa×s | 366.70 | Joback Calculated Property |
| η | 0.0006872 | Pa×s | 410.87 | Joback Calculated Property |
| η | 0.0004484 | Pa×s | 455.04 | Joback Calculated Property |
| η | 0.0003155 | Pa×s | 499.21 | Joback Calculated Property |
| η | 0.0002351 | Pa×s | 543.38 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 587.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, butyl ester.
Sources
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