- 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).
- 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 | -260.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen 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 |
|---|---|---|---|---|
| Cp,gas | [315.26; 401.95] | J/mol×K | [427.32; 596.92] |
|
| Cp,gas | 315.26 | J/mol×K | 427.32 | Joback Calculated Property |
| Cp,gas | 331.18 | J/mol×K | 455.59 | Joback Calculated Property |
| Cp,gas | 346.50 | J/mol×K | 483.85 | Joback Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 512.12 | Joback Calculated Property |
| Cp,gas | 375.35 | J/mol×K | 540.39 | Joback Calculated Property |
| Cp,gas | 388.93 | J/mol×K | 568.65 | Joback Calculated Property |
| Cp,gas | 401.95 | J/mol×K | 596.92 | Joback Calculated Property |
| η | [0.0002171; 0.0214146] | Pa×s | [172.46; 427.32] |
|
| η | 0.0214146 | Pa×s | 172.46 | Joback Calculated Property |
| η | 0.0046771 | Pa×s | 214.94 | Joback Calculated Property |
| η | 0.0016877 | Pa×s | 257.41 | Joback Calculated Property |
| η | 0.0008129 | Pa×s | 299.89 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 342.37 | Joback Calculated Property |
| η | 0.0003059 | Pa×s | 384.84 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 427.32 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.87; 457.45] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05704e+02 | |||
| Coefficient B | -9.29793e+03 | |||
| Coefficient C | -1.33354e+01 | |||
| Coefficient D | 7.70166e-06 | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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