- InChI
- InChI=1S/C12H26/c1-7-11(3,4)9-10-12(5,6)8-2/h7-10H2,1-6H3
- InChI Key
- PAEUGKMMSQUAGH-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(C)(C)CCC(C)(C)CC
- Molecular Weight1
- 170.33
- CAS
- 62199-46-6
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.4241 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8065.10 | kJ/mol | NIST |
| ΔfG° | 55.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.639 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Tboil | 462.90 ± 0.60 | K | NIST |
| Tc | 647.35 | K | Relay (1.0) Calculated Property |
| Tfus | [199.56; 199.87] | K |
|
| Tfus | 199.56 ± 0.20 | K | NIST |
| Tfus | 199.87 ± 0.10 | K | NIST |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.01; 513.90] | J/mol×K | [467.50; 648.06] |
|
| Cp,gas | 411.01 | J/mol×K | 467.50 | Joback Calculated Property |
| Cp,gas | 430.55 | J/mol×K | 497.59 | Joback Calculated Property |
| Cp,gas | 449.07 | J/mol×K | 527.69 | Joback Calculated Property |
| Cp,gas | 466.62 | J/mol×K | 557.78 | Joback Calculated Property |
| Cp,gas | 483.25 | J/mol×K | 587.87 | Joback Calculated Property |
| Cp,gas | 498.99 | J/mol×K | 617.96 | Joback Calculated Property |
| Cp,gas | 513.90 | J/mol×K | 648.06 | Joback Calculated Property |
| η | [0.0002139; 0.0149911] | Pa×s | [229.84; 467.50] |
|
| η | 0.0149911 | Pa×s | 229.84 | Joback Calculated Property |
| η | 0.0043865 | Pa×s | 269.45 | Joback Calculated Property |
| η | 0.0017587 | Pa×s | 309.06 | Joback Calculated Property |
| η | 0.0008679 | Pa×s | 348.67 | Joback Calculated Property |
| η | 0.0004947 | Pa×s | 388.28 | Joback Calculated Property |
| η | 0.0003129 | Pa×s | 427.89 | Joback Calculated Property |
| η | 0.0002139 | Pa×s | 467.50 | Joback Calculated Property |
| ΔvapH | 52.90 | kJ/mol | 405.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [341.45; 494.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35412e+01 | |||
| Coefficient B | -3.31516e+03 | |||
| Coefficient C | -9.13150e+01 | |||
| Temperature range, min. | 341.45 | |||
| Temperature range, max. | 494.14 | |||
| Pvap | 1.33 | kPa | 341.45 | Calculated Property |
| Pvap | 3.09 | kPa | 358.42 | Calculated Property |
| Pvap | 6.49 | kPa | 375.38 | Calculated Property |
| Pvap | 12.54 | kPa | 392.35 | Calculated Property |
| Pvap | 22.56 | kPa | 409.31 | Calculated Property |
| Pvap | 38.25 | kPa | 426.28 | Calculated Property |
| Pvap | 61.63 | kPa | 443.24 | Calculated Property |
| Pvap | 95.05 | kPa | 460.21 | Calculated Property |
| Pvap | 141.12 | kPa | 477.17 | Calculated Property |
| Pvap | 202.64 | kPa | 494.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,6,6-Tetramethyloctane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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