- InChI
- InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- ZALHPSXXQIPKTQ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)CCCC(C)C
- Molecular Weight1
- 142.28
- CAS
- 2051-30-1
- Other Names
-
- 2,6-Dimethyloctane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4442; 0.4530] |
|
|
| ω | 0.4442 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4530 | KDB | |
| AP | 351.150 | K | KDB |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6769.80 | kJ/mol | KDB |
| Δc,netH | 6285.666 | kJ/mol | KDB |
| ΔfH°gas | -279.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.30 | kJ/mol | NIST |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | [2149.99; 2150.00] | kPa |
|
| Pc | 2149.99 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2150.00 | kPa | KDB |
| Inp | [927.00; 938.00] |
|
|
| Inp | 932.00 | NIST | |
| Inp | 934.90 | NIST | |
| Inp | 934.90 | NIST | |
| Inp | 931.50 | NIST | |
| Inp | 930.80 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 935.12 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 930.75 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 933.30 | NIST | |
| Inp | Outlier 927.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 934.70 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | Outlier 928.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 933.30 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 930.75 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 935.12 | NIST | |
| Inp | 938.00 | NIST | |
| Ip | [921.00; 921.00] |
|
|
| Ip | 921.00 | NIST | |
| Ip | 921.00 | NIST | |
| Tboil | [431.65; 433.50] | K |
|
| Tboil | 433.50 | K | KDB |
| Tboil | 433.40 ± 1.50 | K | NIST |
| Tboil | 432.15 ± 1.50 | K | NIST |
| Tboil | 431.65 ± 0.70 | K | NIST |
| Tboil | 432.65 ± 0.60 | K | NIST |
| Tboil | 431.65 ± 2.00 | K | NIST |
| Tboil | 432.90 ± 1.50 | K | NIST |
| Tboil | 431.65 ± 2.00 | K | NIST |
| Tc | [603.10; 603.10] | K |
|
| Tc | 603.10 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 603.10 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | [0.576; 0.576] | m3/kmol |
|
| Vc | 0.576 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.576 | m3/kmol | KDB |
| Zc | 0.2469650 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.20 | kJ/mol | 433.50 | KDB |
| n0 | 1.40840 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.99; 536.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.56600e+00 | |||
| Coefficient B | 9.65680e-01 | |||
| Coefficient C | -5.26600e-04 | |||
| Coefficient D | 1.06800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 401.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 466.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041706; 0.0002255] | Pa×s | [219.00; 422.17] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15422e+01 | |||
| Coefficient B | 1.32768e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 219.00 | |||
| Temperature range, max. | 422.17 | |||
| η | 0.0041706 | Pa×s | 219.00 | Calculated Property |
| η | 0.0023668 | Pa×s | 241.57 | Calculated Property |
| η | 0.0014797 | Pa×s | 264.15 | Calculated Property |
| η | 0.0009961 | Pa×s | 286.72 | Calculated Property |
| η | 0.0007105 | Pa×s | 309.30 | Calculated Property |
| η | 0.0005306 | Pa×s | 331.87 | Calculated Property |
| η | 0.0004112 | Pa×s | 354.45 | Calculated Property |
| η | 0.0003286 | Pa×s | 377.02 | Calculated Property |
| η | 0.0002693 | Pa×s | 399.60 | Calculated Property |
| η | 0.0002255 | Pa×s | 422.17 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [318.22; 462.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44779e+01 | |||
| Coefficient B | -3.72529e+03 | |||
| Coefficient C | -5.56960e+01 | |||
| Temperature range, min. | 318.22 | |||
| Temperature range, max. | 462.10 | |||
| Pvap | 1.33 | kPa | 318.22 | Calculated Property |
| Pvap | 3.01 | kPa | 334.21 | Calculated Property |
| Pvap | 6.22 | kPa | 350.19 | Calculated Property |
| Pvap | 11.94 | kPa | 366.18 | Calculated Property |
| Pvap | 21.48 | kPa | 382.17 | Calculated Property |
| Pvap | 36.59 | kPa | 398.15 | Calculated Property |
| Pvap | 59.44 | kPa | 414.14 | Calculated Property |
| Pvap | 92.64 | kPa | 430.13 | Calculated Property |
| Pvap | 139.23 | kPa | 446.11 | Calculated Property |
| Pvap | 202.64 | kPa | 462.10 | Calculated Property |
| Pvap | [1.33; 210.34] | kPa | [318.15; 462.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.17854e+02 | |||
| Coefficient B | -9.84801e+03 | |||
| Coefficient C | -1.52027e+01 | |||
| Coefficient D | 9.76863e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 462.15 | |||
| Pvap | 1.33 | kPa | 318.15 | Calculated Property |
| Pvap | 3.07 | kPa | 334.15 | Calculated Property |
| Pvap | 6.44 | kPa | 350.15 | Calculated Property |
| Pvap | 12.49 | kPa | 366.15 | Calculated Property |
| Pvap | 22.59 | kPa | 382.15 | Calculated Property |
| Pvap | 38.54 | kPa | 398.15 | Calculated Property |
| Pvap | 62.50 | kPa | 414.15 | Calculated Property |
| Pvap | 97.07 | kPa | 430.15 | Calculated Property |
| Pvap | 145.21 | kPa | 446.15 | Calculated Property |
| Pvap | 210.34 | kPa | 462.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,6-dimethyl-.
Sources
- KDB Vapor Pressure Data
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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