- InChI
- InChI=1S/C22H32O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h12-15,19-20H,3-11,16H2,1-2H3
- InChI Key
- BIROOVPAKYONCK-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c
cc(OC)cc1 - Molecular Weight1
- 376.49
- 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° | -318.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.921 | Crippen Calculated Property | |
| McVol | 306.970 | ml/mol | McGowan Calculated Property |
| Pc | 1306.12 | kPa | Joback Calculated Property |
| Inp | [2794.00; 2794.00] |
|
|
| Inp | 2794.00 | NIST | |
| Inp | 2794.00 | NIST | |
| Tboil | 924.30 | K | Joback Calculated Property |
| Tc | 1142.61 | K | Joback Calculated Property |
| Tfus | 546.33 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.24; 1098.04] | J/mol×K | [924.30; 1142.61] |
|
| Cp,gas | 1026.24 | J/mol×K | 924.30 | Joback Calculated Property |
| Cp,gas | 1042.45 | J/mol×K | 960.68 | Joback Calculated Property |
| Cp,gas | 1056.94 | J/mol×K | 997.07 | Joback Calculated Property |
| Cp,gas | 1069.73 | J/mol×K | 1033.45 | Joback Calculated Property |
| Cp,gas | 1080.84 | J/mol×K | 1069.84 | Joback Calculated Property |
| Cp,gas | 1090.27 | J/mol×K | 1106.22 | Joback Calculated Property |
| Cp,gas | 1098.04 | J/mol×K | 1142.61 | Joback Calculated Property |
| η | [0.0000418; 0.0004256] | Pa×s | [546.33; 924.30] |
|
| η | 0.0004256 | Pa×s | 546.33 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 609.32 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 672.32 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 735.31 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 798.31 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 861.30 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 924.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester.
Sources
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