- InChI
- InChI=1S/C12H26/c1-7-9(3)11(5)12(6)10(4)8-2/h9-12H,7-8H2,1-6H3
- InChI Key
- NADJQGPTQSFIHB-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(C)C(C)C(C)C(C)CC
- Molecular Weight1
- 170.33
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4222 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.351 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | 1105.85 | NIST | |
| Tboil | 467.48 | K | Relay (1.0) Calculated Property |
| Tc | 644.35 | K | Relay (1.0) Calculated Property |
| Tfus | 209.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.23; 507.10] | J/mol×K | [472.40; 647.06] | 
|
| Cp,gas | 407.23 | J/mol×K | 472.40 | Joback Calculated Property |
| Cp,gas | 425.70 | J/mol×K | 501.51 | Joback Calculated Property |
| Cp,gas | 443.42 | J/mol×K | 530.62 | Joback Calculated Property |
| Cp,gas | 460.40 | J/mol×K | 559.73 | Joback Calculated Property |
| Cp,gas | 476.66 | J/mol×K | 588.84 | Joback Calculated Property |
| Cp,gas | 492.22 | J/mol×K | 617.95 | Joback Calculated Property |
| Cp,gas | 507.10 | J/mol×K | 647.06 | Joback Calculated Property |
| η | [0.0001736; 0.0923748] | Pa×s | [165.00; 472.40] |
|
| η | 0.0923748 | Pa×s | 165.00 | Joback Calculated Property |
| η | 0.0093962 | Pa×s | 216.23 | Joback Calculated Property |
| η | 0.0022941 | Pa×s | 267.47 | Joback Calculated Property |
| η | 0.0008814 | Pa×s | 318.70 | Joback Calculated Property |
| η | 0.0004413 | Pa×s | 369.93 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 421.17 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 472.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5,6-Tetramethyloctane, b.
Sources
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