- InChI
- InChI=1S/C13H28/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-12H2,1-4H3
- InChI Key
- QDKSGHXRHXVMPF-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCCCCCCCCC(C)(C)C
- Molecular Weight1
- 184.36
- CAS
- 17312-64-0
- Other Names
-
- 2,2-Dimethylundecane
- 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).
- Pvap : Vapor 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 | 0.5399 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.173 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [1214.00; 1228.00] |
|
|
| Inp | 1215.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Tboil | 489.11 | K | Relay (1.0) Calculated Property |
| Tc | 648.21 | K | Relay (1.0) Calculated Property |
| Tfus | 235.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.75; 558.07] | J/mol×K | [493.61; 662.67] |
|
| Cp,gas | 457.75 | J/mol×K | 493.61 | Joback Calculated Property |
| Cp,gas | 476.43 | J/mol×K | 521.79 | Joback Calculated Property |
| Cp,gas | 494.29 | J/mol×K | 549.96 | Joback Calculated Property |
| Cp,gas | 511.35 | J/mol×K | 578.14 | Joback Calculated Property |
| Cp,gas | 527.65 | J/mol×K | 606.32 | Joback Calculated Property |
| Cp,gas | 543.21 | J/mol×K | 634.50 | Joback Calculated Property |
| Cp,gas | 558.07 | J/mol×K | 662.67 | Joback Calculated Property |
| η | [0.0001935; 0.0090102] | Pa×s | [238.69; 493.61] |
|
| η | 0.0090102 | Pa×s | 238.69 | Joback Calculated Property |
| η | 0.0029290 | Pa×s | 281.18 | Joback Calculated Property |
| η | 0.0012789 | Pa×s | 323.66 | Joback Calculated Property |
| η | 0.0006768 | Pa×s | 366.15 | Joback Calculated Property |
| η | 0.0004088 | Pa×s | 408.64 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 451.12 | Joback Calculated Property |
| η | 0.0001935 | Pa×s | 493.61 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [369.00; 525.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39643e+01 | |||
| Coefficient B | -3.69372e+03 | |||
| Coefficient C | -9.89300e+01 | |||
| Temperature range, min. | 369.00 | |||
| Temperature range, max. | 525.81 | |||
| Pvap | 1.33 | kPa | 369.00 | Calculated Property |
| Pvap | 3.05 | kPa | 386.42 | Calculated Property |
| Pvap | 6.36 | kPa | 403.85 | Calculated Property |
| Pvap | 12.25 | kPa | 421.27 | Calculated Property |
| Pvap | 22.04 | kPa | 438.69 | Calculated Property |
| Pvap | 37.46 | kPa | 456.12 | Calculated Property |
| Pvap | 60.59 | kPa | 473.54 | Calculated Property |
| Pvap | 93.91 | kPa | 490.96 | Calculated Property |
| Pvap | 140.23 | kPa | 508.39 | Calculated Property |
| Pvap | 202.65 | kPa | 525.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 2,2-dimethyl-.
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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