- InChI
- InChI=1S/C10H22/c1-5-6-7-10(4)8-9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- IXAVTTRPEXFVSX-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCC(C)CC(C)C
- Molecular Weight1
- 142.28
- CAS
- 4032-94-4
- Other Names
-
- 2,4-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).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4300 | KDB | |
| AP | 353.150 | K | KDB |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6770.38 | kJ/mol | KDB |
| Δc,netH | 6286.251 | kJ/mol | KDB |
| ΔfH°gas | -265.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | NIST |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | 2140.00 | kPa | KDB |
| Inp | [906.00; 934.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 916.80 | NIST | |
| Inp | 915.80 | NIST | |
| Inp | 915.50 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 915.50 | NIST | |
| Inp | 924.40 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | Outlier 934.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 924.40 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 916.80 | NIST | |
| Tboil | [429.05; 429.10] | K |
|
| Tboil | 429.10 | K | KDB |
| Tboil | 429.05 ± 0.50 | K | NIST |
| Tc | 599.40 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | 0.566 | m3/kmol | KDB |
| Zc | 0.2430390 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [37.82; 44.90] | kJ/mol | [328.00; 429.10] |
|
| ΔvapH | 44.90 ± 0.20 | kJ/mol | 328.00 | NIST |
| ΔvapH | 43.60 ± 0.20 | kJ/mol | 343.00 | NIST |
| ΔvapH | 42.40 ± 0.20 | kJ/mol | 358.00 | NIST |
| ΔvapH | 37.82 | kJ/mol | 429.10 | KDB |
| n0 | 1.40690 | 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; 0.0002299] | Pa×s | [219.00; 419.58] |
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. | 419.58 | |||
| η | 0.0041706 | Pa×s | 219.00 | Calculated Property |
| η | 0.0023824 | Pa×s | 241.29 | Calculated Property |
| η | 0.0014960 | Pa×s | 263.57 | Calculated Property |
| η | 0.0010102 | Pa×s | 285.86 | Calculated Property |
| η | 0.0007219 | Pa×s | 308.15 | Calculated Property |
| η | 0.0005399 | Pa×s | 330.43 | Calculated Property |
| η | 0.0004188 | Pa×s | 352.72 | Calculated Property |
| η | 0.0003349 | Pa×s | 375.01 | Calculated Property |
| η | 0.0002746 | Pa×s | 397.29 | Calculated Property |
| η | 0.0002299 | Pa×s | 419.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.87; 457.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41560e+01 | |||
| Coefficient B | -3.45677e+03 | |||
| Coefficient C | -6.66180e+01 | |||
| Temperature range, min. | 315.87 | |||
| Temperature range, max. | 457.45 | |||
| Pvap | 1.33 | kPa | 315.87 | Calculated Property |
| Pvap | 3.04 | kPa | 331.60 | Calculated Property |
| Pvap | 6.31 | kPa | 347.33 | Calculated Property |
| Pvap | 12.13 | kPa | 363.06 | Calculated Property |
| Pvap | 21.82 | kPa | 378.79 | Calculated Property |
| Pvap | 37.12 | kPa | 394.53 | Calculated Property |
| Pvap | 60.14 | kPa | 410.26 | Calculated Property |
| Pvap | 93.42 | kPa | 425.99 | Calculated Property |
| Pvap | 139.84 | kPa | 441.72 | Calculated Property |
| Pvap | 202.64 | kPa | 457.45 | Calculated Property |
| Pvap | [1.35; 2135.82] | kPa | [316.15; 599.40] |
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 | 1.05704e+02 | |||
| Coefficient B | -9.29793e+03 | |||
| Coefficient C | -1.33354e+01 | |||
| Coefficient D | 7.70166e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 316.15 | |||
| Temperature range, max. | 599.40 | |||
| Pvap | 1.35 | kPa | 316.15 | Calculated Property |
| Pvap | 6.43 | kPa | 347.62 | Calculated Property |
| Pvap | 22.23 | kPa | 379.09 | Calculated Property |
| Pvap | 60.90 | kPa | 410.57 | Calculated Property |
| Pvap | 140.24 | kPa | 442.04 | Calculated Property |
| Pvap | 283.20 | kPa | 473.51 | Calculated Property |
| Pvap | 517.49 | kPa | 504.98 | Calculated Property |
| Pvap | 876.02 | kPa | 536.46 | Calculated Property |
| Pvap | 1398.69 | kPa | 567.93 | Calculated Property |
| Pvap | 2135.82 | kPa | 599.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,4-dimethyl-.
Sources
- KDB Vapor Pressure Data
- 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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