- InChI
- InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3
- InChI Key
- JEEQUUSFXYRPRK-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)CCC(C)CC
- Molecular Weight1
- 142.28
- CAS
- 15869-94-0
- Other Names
-
- 3,6-Dimethyloctane
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.30 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [927.80; 948.30] |
|
|
| Inp | 929.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.60 | NIST | |
| Inp | 940.60 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 927.80 | NIST | |
| Inp | 927.80 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 948.30 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 948.30 | NIST | |
| Tboil | 427.32 | K | Joback Calculated Property |
| Tc | 596.92 | K | Joback Calculated Property |
| Tfus | 172.46 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
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 |
| ρl | [674.90; 746.60] | kg/m3 | [283.15; 373.15] |
|
| ρl | 746.60 | kg/m3 | 283.15 | Density... |
| ρl | 746.60 | kg/m3 | 283.15 | Density... |
| ρl | 738.90 | kg/m3 | 293.15 | Density... |
| ρl | 738.90 | kg/m3 | 293.15 | Density... |
| ρl | 731.20 | kg/m3 | 303.15 | Density... |
| ρl | 731.10 | kg/m3 | 303.15 | Density... |
| ρl | 723.30 | kg/m3 | 313.15 | Density... |
| ρl | 723.50 | kg/m3 | 313.15 | Density... |
| ρl | 715.50 | kg/m3 | 323.15 | Density... |
| ρl | 715.70 | kg/m3 | 323.15 | Density... |
| ρl | 707.60 | kg/m3 | 333.15 | Density... |
| ρl | 699.60 | kg/m3 | 343.15 | Density... |
| ρl | 691.50 | kg/m3 | 353.15 | Density... |
| ρl | 683.30 | kg/m3 | 363.15 | Density... |
| ρl | 674.90 | kg/m3 | 373.15 | Density... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [319.03; 462.75] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41976e+01 | |||
| Coefficient B | -3.53609e+03 | |||
| Coefficient C | -6.48190e+01 | |||
| Temperature range, min. | 319.03 | |||
| Temperature range, max. | 462.75 | |||
| Pvap | 1.33 | kPa | 319.03 | Calculated Property |
| Pvap | 3.03 | kPa | 335.00 | Calculated Property |
| Pvap | 6.30 | kPa | 350.97 | Calculated Property |
| Pvap | 12.10 | kPa | 366.94 | Calculated Property |
| Pvap | 21.78 | kPa | 382.91 | Calculated Property |
| Pvap | 37.05 | kPa | 398.87 | Calculated Property |
| Pvap | 60.05 | kPa | 414.84 | Calculated Property |
| Pvap | 93.31 | kPa | 430.81 | Calculated Property |
| Pvap | 139.75 | kPa | 446.78 | Calculated Property |
| Pvap | 202.63 | kPa | 462.75 | Calculated Property |
| Pvap | [1.34; 2187.35] | kPa | [319.15; 608.30] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.06372e+02 | |||
| Coefficient B | -9.38170e+03 | |||
| Coefficient C | -1.34381e+01 | |||
| Coefficient D | 7.80491e-06 | |||
| Temperature range, min. | 319.15 | |||
| Temperature range, max. | 608.30 | |||
| Pvap | 1.34 | kPa | 319.15 | Calculated Property |
| Pvap | 6.42 | kPa | 351.28 | Calculated Property |
| Pvap | 22.33 | kPa | 383.41 | Calculated Property |
| Pvap | 61.36 | kPa | 415.53 | Calculated Property |
| Pvap | 141.56 | kPa | 447.66 | Calculated Property |
| Pvap | 286.36 | kPa | 479.79 | Calculated Property |
| Pvap | 524.32 | kPa | 511.92 | Calculated Property |
| Pvap | 889.96 | kPa | 544.04 | Calculated Property |
| Pvap | 1425.99 | kPa | 576.17 | Calculated Property |
| Pvap | 2187.35 | kPa | 608.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3,6-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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