- InChI
- InChI=1S/C21H44/c1-7-20(8-2,9-3)18-16-14-13-15-17-19-21(10-4,11-5)12-6/h7-19H2,1-6H3
- InChI Key
- GVEHWITXYSVWBO-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCC(CC)(CC)CCCCCCCC(CC)(CC)CC
- Molecular Weight1
- 296.57
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7133 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.150 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 979.01 | kPa | Joback Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Tboil | 575.83 | K | Relay (1.0) Calculated Property |
| Tc | 767.76 | K | Relay (1.0) Calculated Property |
| Tfus | 268.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.132 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.11; 1022.90] | J/mol×K | [673.42; 844.37] |
|
| Cp,gas | 904.11 | J/mol×K | 673.42 | Joback Calculated Property |
| Cp,gas | 926.40 | J/mol×K | 701.91 | Joback Calculated Property |
| Cp,gas | 947.62 | J/mol×K | 730.40 | Joback Calculated Property |
| Cp,gas | 967.83 | J/mol×K | 758.90 | Joback Calculated Property |
| Cp,gas | 987.07 | J/mol×K | 787.39 | Joback Calculated Property |
| Cp,gas | 1005.41 | J/mol×K | 815.88 | Joback Calculated Property |
| Cp,gas | 1022.90 | J/mol×K | 844.37 | Joback Calculated Property |
| η | [0.0000622; 0.0043469] | Pa×s | [331.27; 673.42] |
|
| η | 0.0043469 | Pa×s | 331.27 | Joback Calculated Property |
| η | 0.0012737 | Pa×s | 388.29 | Joback Calculated Property |
| η | 0.0005111 | Pa×s | 445.32 | Joback Calculated Property |
| η | 0.0002523 | Pa×s | 502.34 | Joback Calculated Property |
| η | 0.0001439 | Pa×s | 559.37 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 616.39 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 673.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,11,11-Tetraethyltridecane.
Sources
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