- InChI
- InChI=1S/C22H34O4/c1-2-3-8-25-21(23)18-6-4-5-7-19(18)22(24)26-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-20H,2-13H2,1H3
- InChI Key
- RBQIYDCEYQKHFC-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCOC(=O)C1CCCCC1C(=O)OC1C2CC
3CC(C2)CC1C3 - Molecular Weight1
- 362.50
- 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° | -162.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.504 | Crippen Calculated Property | |
| McVol | 292.280 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [2682.00; 2682.00] |
|
|
| Inp | 2682.00 | NIST | |
| Inp | 2682.00 | NIST | |
| Tboil | 885.37 | K | Joback Calculated Property |
| Tc | 1105.67 | K | Joback Calculated Property |
| Tfus | 526.98 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1055.74; 1158.84] | J/mol×K | [885.37; 1105.67] |
|
| Cp,gas | 1055.74 | J/mol×K | 885.37 | Joback Calculated Property |
| Cp,gas | 1076.44 | J/mol×K | 922.09 | Joback Calculated Property |
| Cp,gas | 1095.61 | J/mol×K | 958.80 | Joback Calculated Property |
| Cp,gas | 1113.34 | J/mol×K | 995.52 | Joback Calculated Property |
| Cp,gas | 1129.73 | J/mol×K | 1032.24 | Joback Calculated Property |
| Cp,gas | 1144.86 | J/mol×K | 1068.95 | Joback Calculated Property |
| Cp,gas | 1158.84 | J/mol×K | 1105.67 | Joback Calculated Property |
| η | [0.0020184; 0.0049412] | Pa×s | [526.98; 885.37] |
|
| η | 0.0049412 | Pa×s | 526.98 | Joback Calculated Property |
| η | 0.0039449 | Pa×s | 586.71 | Joback Calculated Property |
| η | 0.0032833 | Pa×s | 646.44 | Joback Calculated Property |
| η | 0.0028189 | Pa×s | 706.17 | Joback Calculated Property |
| η | 0.0024784 | Pa×s | 765.91 | Joback Calculated Property |
| η | 0.0022200 | Pa×s | 825.64 | Joback Calculated Property |
| η | 0.0020184 | Pa×s | 885.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl butyl ester.
Sources
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