- InChI
- InChI=1S/C16H28O5/c1-3-4-7-10-20-15(17)13-8-5-6-9-14(13)16(18)21-12-11-19-2/h13-14H,3-12H2,1-2H3
- InChI Key
- SUCFWFMYVHCNAE-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
- CCCCCOC(=O)C1CCCCC1C(=O)OCCOC
- Molecular Weight1
- 300.39
- 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° | -472.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.716 | Crippen Calculated Property | |
| McVol | 246.190 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [2041.00; 2041.00] |
|
|
| Inp | 2041.00 | NIST | |
| Inp | 2041.00 | NIST | |
| Tboil | 755.36 | K | Joback Calculated Property |
| Tc | 951.00 | K | Joback Calculated Property |
| Tfus | 439.77 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.90; 853.77] | J/mol×K | [755.36; 951.00] |
|
| Cp,gas | 761.90 | J/mol×K | 755.36 | Joback Calculated Property |
| Cp,gas | 780.17 | J/mol×K | 787.97 | Joback Calculated Property |
| Cp,gas | 797.26 | J/mol×K | 820.57 | Joback Calculated Property |
| Cp,gas | 813.17 | J/mol×K | 853.18 | Joback Calculated Property |
| Cp,gas | 827.90 | J/mol×K | 885.79 | Joback Calculated Property |
| Cp,gas | 841.43 | J/mol×K | 918.40 | Joback Calculated Property |
| Cp,gas | 853.77 | J/mol×K | 951.00 | Joback Calculated Property |
| η | [0.0000916; 0.0010350] | Pa×s | [439.77; 755.36] |
|
| η | 0.0010350 | Pa×s | 439.77 | Joback Calculated Property |
| η | 0.0005568 | Pa×s | 492.37 | Joback Calculated Property |
| η | 0.0003376 | Pa×s | 544.97 | Joback Calculated Property |
| η | 0.0002236 | Pa×s | 597.57 | Joback Calculated Property |
| η | 0.0001582 | Pa×s | 650.16 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 702.76 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 755.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methoxyethyl pentyl ester.
Sources
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