- InChI
- InChI=1S/C19H40/c1-7-18(8-2,9-3)16-14-13-15-17-19(10-4,11-5)12-6/h7-17H2,1-6H3
- InChI Key
- KKQMWCISWMDQFO-UHFFFAOYSA-N
- Formula
- C19H40
- SMILES
- CCC(CC)(CC)CCCCCC(CC)(CC)CC
- Molecular Weight1
- 268.53
- 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 | 0.6403 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.370 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | 1779.00 | NIST | |
| Tboil | 560.89 | K | Relay (1.0) Calculated Property |
| Tc | 750.65 | K | Relay (1.0) Calculated Property |
| Tfus | 261.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | 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 | [785.65; 902.09] | J/mol×K | [627.86; 799.19] | 
|
| Cp,gas | 785.65 | J/mol×K | 627.86 | Joback Calculated Property |
| Cp,gas | 807.53 | J/mol×K | 656.42 | Joback Calculated Property |
| Cp,gas | 828.35 | J/mol×K | 684.97 | Joback Calculated Property |
| Cp,gas | 848.17 | J/mol×K | 713.53 | Joback Calculated Property |
| Cp,gas | 867.03 | J/mol×K | 742.08 | Joback Calculated Property |
| Cp,gas | 884.99 | J/mol×K | 770.64 | Joback Calculated Property |
| Cp,gas | 902.09 | J/mol×K | 799.19 | Joback Calculated Property |
| η | [0.0000837; 0.0058611] | Pa×s | [308.73; 627.86] |
|
| η | 0.0058611 | Pa×s | 308.73 | Joback Calculated Property |
| η | 0.0017159 | Pa×s | 361.92 | Joback Calculated Property |
| η | 0.0006882 | Pa×s | 415.11 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 468.29 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 521.48 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 574.67 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 627.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,9,9-Tetraethylundecane.
Sources
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