- InChI
- InChI=1S/C22H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-25-22(23)20-15-17-21(24-2)18-16-20/h20-21H,3-19H2,1-2H3
- InChI Key
- REXRAODEVPBROT-UHFFFAOYSA-N
- Formula
- C22H42O3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCC(OC)C
C1 - Molecular Weight1
- 354.57
- 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° | -187.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 6.436 | Crippen Calculated Property | |
| McVol | 323.290 | ml/mol | McGowan Calculated Property |
| Pc | 1021.38 | kPa | Joback Calculated Property |
| Inp | [2571.00; 2571.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 816.35 | K | Joback Calculated Property |
| Tc | 1005.93 | K | Joback Calculated Property |
| Tfus | 435.23 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.19; 1174.79] | J/mol×K | [816.35; 1005.93] |
|
| Cp,gas | 1066.19 | J/mol×K | 816.35 | Joback Calculated Property |
| Cp,gas | 1087.56 | J/mol×K | 847.95 | Joback Calculated Property |
| Cp,gas | 1107.59 | J/mol×K | 879.54 | Joback Calculated Property |
| Cp,gas | 1126.31 | J/mol×K | 911.14 | Joback Calculated Property |
| Cp,gas | 1143.73 | J/mol×K | 942.74 | Joback Calculated Property |
| Cp,gas | 1159.89 | J/mol×K | 974.34 | Joback Calculated Property |
| Cp,gas | 1174.79 | J/mol×K | 1005.93 | Joback Calculated Property |
| η | [0.0000554; 0.0010572] | Pa×s | [435.23; 816.35] |
|
| η | 0.0010572 | Pa×s | 435.23 | Joback Calculated Property |
| η | 0.0004730 | Pa×s | 498.75 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 562.27 | Joback Calculated Property |
| η | 0.0001545 | Pa×s | 625.79 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 689.31 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 752.83 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 816.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, tetradecyl ester.
Sources
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