- InChI
- InChI=1S/C17H30O5/c1-3-4-5-8-11-21-16(18)14-9-6-7-10-15(14)17(19)22-13-12-20-2/h14-15H,3-13H2,1-2H3
- InChI Key
- ATAQZNKQFNFBLW-UHFFFAOYSA-N
- Formula
- C17H30O5
- SMILES
- CCCCCCOC(=O)C1CCCCC1C(=O)OCCOC
- Molecular Weight1
- 314.42
- 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° | -463.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.106 | Crippen Calculated Property | |
| McVol | 260.280 | ml/mol | McGowan Calculated Property |
| Pc | 1475.88 | kPa | Joback Calculated Property |
| Inp | [2234.00; 2234.00] |
|
|
| Inp | 2234.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Tboil | 778.24 | K | Joback Calculated Property |
| Tc | 973.30 | K | Joback Calculated Property |
| Tfus | 451.04 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.53; 912.51] | J/mol×K | [778.24; 973.30] |
|
| Cp,gas | 820.53 | J/mol×K | 778.24 | Joback Calculated Property |
| Cp,gas | 838.93 | J/mol×K | 810.75 | Joback Calculated Property |
| Cp,gas | 856.11 | J/mol×K | 843.26 | Joback Calculated Property |
| Cp,gas | 872.06 | J/mol×K | 875.77 | Joback Calculated Property |
| Cp,gas | 886.78 | J/mol×K | 908.28 | Joback Calculated Property |
| Cp,gas | 900.26 | J/mol×K | 940.79 | Joback Calculated Property |
| Cp,gas | 912.51 | J/mol×K | 973.30 | Joback Calculated Property |
| η | [0.0000803; 0.0009463] | Pa×s | [451.04; 778.24] |
|
| η | 0.0009463 | Pa×s | 451.04 | Joback Calculated Property |
| η | 0.0005025 | Pa×s | 505.57 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 560.11 | Joback Calculated Property |
| η | 0.0001985 | Pa×s | 614.64 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 669.17 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 723.71 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 778.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methoxyethyl ester.
Sources
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