- InChI
- InChI=1S/C10H22/c1-5-6-10(4)8-7-9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- HOAAQUNESXYFDT-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)CCC(C)C
- Molecular Weight1
- 142.29
- CAS
- 15869-89-3
- Other Names
-
- 2,5-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.
- 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 | 0.4320 | KDB | |
| AP | 350.150 | K | KDB |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6770.21 | kJ/mol | KDB |
| Δc,netH | 6286.084 | kJ/mol | KDB |
| ΔfH°gas | -275.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.00 | kJ/mol | NIST |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2150.00 | kPa | KDB |
| Inp | [921.80; 933.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 922.30 | NIST | |
| Inp | 922.40 | NIST | |
| Inp | 921.80 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 932.60 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 932.60 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 929.00 | NIST | |
| Tboil | [429.15; 431.70] | K |
|
| Tboil | 431.70 | K | KDB |
| Tboil | 430.00 ± 1.00 | K | NIST |
| Tboil | 430.15 ± 2.00 | K | NIST |
| Tboil | 429.15 ± 2.00 | K | NIST |
| Tc | 603.00 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | 0.569 | m3/kmol | KDB |
| Zc | 0.2440040 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 37.82 | kJ/mol | 431.70 | KDB |
| n0 | 1.40890 | 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; 0.0002256] | Pa×s | [219.00; 422.10] |
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. | 422.10 | |||
| η | 0.0041706 | Pa×s | 219.00 | Calculated Property |
| η | 0.0023672 | Pa×s | 241.57 | Calculated Property |
| η | 0.0014802 | Pa×s | 264.13 | Calculated Property |
| η | 0.0009965 | Pa×s | 286.70 | Calculated Property |
| η | 0.0007108 | Pa×s | 309.27 | Calculated Property |
| η | 0.0005308 | Pa×s | 331.83 | Calculated Property |
| η | 0.0004114 | Pa×s | 354.40 | Calculated Property |
| η | 0.0003288 | Pa×s | 376.97 | Calculated Property |
| η | 0.0002695 | Pa×s | 399.53 | Calculated Property |
| η | 0.0002256 | Pa×s | 422.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [317.32; 460.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42361e+01 | |||
| Coefficient B | -3.54158e+03 | |||
| Coefficient C | -6.34170e+01 | |||
| Temperature range, min. | 317.32 | |||
| Temperature range, max. | 460.25 | |||
| Pvap | 1.33 | kPa | 317.32 | Calculated Property |
| Pvap | 3.03 | kPa | 333.20 | Calculated Property |
| Pvap | 6.29 | kPa | 349.08 | Calculated Property |
| Pvap | 12.08 | kPa | 364.96 | Calculated Property |
| Pvap | 21.74 | kPa | 380.84 | Calculated Property |
| Pvap | 36.99 | kPa | 396.73 | Calculated Property |
| Pvap | 59.97 | kPa | 412.61 | Calculated Property |
| Pvap | 93.23 | kPa | 428.49 | Calculated Property |
| Pvap | 139.69 | kPa | 444.37 | Calculated Property |
| Pvap | 202.66 | kPa | 460.25 | Calculated Property |
| Pvap | [1.32; 2146.56] | kPa | [317.15; 603.00] |
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 | 1.07688e+02 | |||
| Coefficient B | -9.39056e+03 | |||
| Coefficient C | -1.36500e+01 | |||
| Coefficient D | 8.09315e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 603.00 | |||
| Pvap | 1.32 | kPa | 317.15 | Calculated Property |
| Pvap | 6.30 | kPa | 348.91 | Calculated Property |
| Pvap | 21.87 | kPa | 380.67 | Calculated Property |
| Pvap | 60.02 | kPa | 412.43 | Calculated Property |
| Pvap | 138.42 | kPa | 444.19 | Calculated Property |
| Pvap | 280.03 | kPa | 475.96 | Calculated Property |
| Pvap | 512.96 | kPa | 507.72 | Calculated Property |
| Pvap | 871.35 | kPa | 539.48 | Calculated Property |
| Pvap | 1397.60 | kPa | 571.24 | Calculated Property |
| Pvap | 2146.56 | kPa | 603.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,5-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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