- InChI
- InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3
- InChI Key
- DBULLUBYDONGLT-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCCC(C)(C)CC
- Molecular Weight1
- 142.28
- CAS
- 4110-44-5
- Other Names
-
- 3,3-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).
- 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° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | NIST |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [905.00; 943.00] |
|
|
| Inp | 932.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 935.50 | NIST | |
| Inp | 935.50 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 942.20 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 938.40 | NIST | |
| Inp | 934.40 | NIST | |
| Inp | 939.30 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 935.50 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | Outlier 905.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 935.50 | NIST | |
| Inp | 942.00 | NIST | |
| Tboil | [429.15; 434.35] | K |
|
| Tboil | 434.35 ± 1.00 | K | NIST |
| Tboil | 429.15 ± 4.00 | K | NIST |
| Tc | 597.50 | K | Joback Calculated Property |
| Tfus | 204.88 | K | Joback Calculated Property |
| Vc | 0.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.97; 405.72] | J/mol×K | [424.97; 597.50] |
|
| Cp,gas | 316.97 | J/mol×K | 424.97 | Joback Calculated Property |
| Cp,gas | 333.53 | J/mol×K | 453.73 | Joback Calculated Property |
| Cp,gas | 349.34 | J/mol×K | 482.48 | Joback Calculated Property |
| Cp,gas | 364.44 | J/mol×K | 511.24 | Joback Calculated Property |
| Cp,gas | 378.86 | J/mol×K | 539.99 | Joback Calculated Property |
| Cp,gas | 392.61 | J/mol×K | 568.75 | Joback Calculated Property |
| Cp,gas | 405.72 | J/mol×K | 597.50 | Joback Calculated Property |
| η | [0.0002495; 0.0108562] | Pa×s | [204.88; 424.97] |
|
| η | 0.0108562 | Pa×s | 204.88 | Joback Calculated Property |
| η | 0.0035911 | Pa×s | 241.56 | Joback Calculated Property |
| η | 0.0015903 | Pa×s | 278.24 | Joback Calculated Property |
| η | 0.0008514 | Pa×s | 314.92 | Joback Calculated Property |
| η | 0.0005192 | Pa×s | 351.61 | Joback Calculated Property |
| η | 0.0003477 | Pa×s | 388.29 | Joback Calculated Property |
| η | 0.0002495 | Pa×s | 424.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [318.15; 463.50] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41763e+01 | |||
| Coefficient B | -3.56197e+03 | |||
| Coefficient C | -6.16890e+01 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 463.50 | |||
| Pvap | 1.33 | kPa | 318.15 | Calculated Property |
| Pvap | 3.03 | kPa | 334.30 | Calculated Property |
| Pvap | 6.30 | kPa | 350.45 | Calculated Property |
| Pvap | 12.11 | kPa | 366.60 | Calculated Property |
| Pvap | 21.80 | kPa | 382.75 | Calculated Property |
| Pvap | 37.09 | kPa | 398.90 | Calculated Property |
| Pvap | 60.10 | kPa | 415.05 | Calculated Property |
| Pvap | 93.37 | kPa | 431.20 | Calculated Property |
| Pvap | 139.81 | kPa | 447.35 | Calculated Property |
| Pvap | 202.65 | kPa | 463.50 | Calculated Property |
| Pvap | [1.34; 2231.38] | kPa | [318.15; 612.10] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.01510e+02 | |||
| Coefficient B | -9.09564e+03 | |||
| Coefficient C | -1.27338e+01 | |||
| Coefficient D | 7.39631e-06 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 612.10 | |||
| Pvap | 1.34 | kPa | 318.15 | Calculated Property |
| Pvap | 6.49 | kPa | 350.81 | Calculated Property |
| Pvap | 22.69 | kPa | 383.47 | Calculated Property |
| Pvap | 62.56 | kPa | 416.13 | Calculated Property |
| Pvap | 144.54 | kPa | 448.79 | Calculated Property |
| Pvap | 292.54 | kPa | 481.46 | Calculated Property |
| Pvap | 535.65 | kPa | 514.12 | Calculated Property |
| Pvap | 908.92 | kPa | 546.78 | Calculated Property |
| Pvap | 1455.64 | kPa | 579.44 | Calculated Property |
| Pvap | 2231.38 | kPa | 612.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3,3-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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