- InChI
- InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
- InChI Key
- PSABUFWDVWCFDP-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCCCCC(C)(C)C
- Molecular Weight1
- 128.26
- CAS
- 1071-26-7
- Other Names
-
- 2,2-Dimethylheptane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- 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 | 0.3900 | KDB | |
| AP | 352.150 | K | KDB |
| ΔcH°liquid | -6111.74 ± 0.84 | kJ/mol | NIST |
| ΔfG° | 16.75 | kJ/mol | KDB |
| Δc,grossH | 6111.74 | kJ/mol | KDB |
| Δc,netH | 5671.622 | kJ/mol | KDB |
| ΔfH°gas | [-247.00; -246.10] | kJ/mol |
|
| ΔfH°gas | -247.00 | kJ/mol | KDB |
| ΔfH°gas | -246.10 | kJ/mol | NIST |
| ΔfH°liquid | -288.20 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.30 | kJ/mol | NIST |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | [2350.00; 2350.00] | kPa |
|
| Pc | 2350.00 | kPa | KDB |
| Pc | 2350.00 ± 40.00 | kPa | NIST |
| Pc | 2350.00 ± 41.37 | kPa | NIST |
| Inp | [808.00; 829.90] |
|
|
| Inp | 816.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 815.10 | NIST | |
| Inp | 816.10 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 817.10 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 816.50 | NIST | |
| Inp | 817.10 | NIST | |
| Inp | 817.70 | NIST | |
| Inp | 811.60 | NIST | |
| Inp | 814.20 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | Outlier 808.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | Outlier 829.90 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | Outlier 824.70 | NIST | |
| Inp | 818.90 | NIST | |
| Inp | 816.53 | NIST | |
| Inp | 818.34 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 817.00 | NIST | |
| Tboil | 405.80 | K | KDB |
| Tc | [576.69; 576.70] | K |
|
| Tc | 576.70 | K | KDB |
| Tc | 576.70 ± 0.50 | K | NIST |
| Tc | 576.69 ± 0.50 | K | NIST |
| Tfus | 160.00 | K | KDB |
| Vc | 0.528 | m3/kmol | KDB |
| Zc | 0.2590160 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.99; 357.75] | J/mol×K | [402.09; 575.56] |
|
| Cp,gas | 273.99 | J/mol×K | 402.09 | Joback Calculated Property |
| Cp,gas | 289.63 | J/mol×K | 431.00 | Joback Calculated Property |
| Cp,gas | 304.56 | J/mol×K | 459.91 | Joback Calculated Property |
| Cp,gas | 318.82 | J/mol×K | 488.82 | Joback Calculated Property |
| Cp,gas | 332.42 | J/mol×K | 517.74 | Joback Calculated Property |
| Cp,gas | 345.39 | J/mol×K | 546.65 | Joback Calculated Property |
| Cp,gas | 357.75 | J/mol×K | 575.56 | Joback Calculated Property |
| η | [0.0002652; 0.0112198] | Pa×s | [193.61; 402.09] |
|
| η | 0.0112198 | Pa×s | 193.61 | Joback Calculated Property |
| η | 0.0037384 | Pa×s | 228.36 | Joback Calculated Property |
| η | 0.0016651 | Pa×s | 263.10 | Joback Calculated Property |
| η | 0.0008957 | Pa×s | 297.85 | Joback Calculated Property |
| η | 0.0005485 | Pa×s | 332.60 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 367.34 | Joback Calculated Property |
| η | 0.0002652 | Pa×s | 402.09 | Joback Calculated Property |
| ΔvapH | 34.77 | kJ/mol | 405.90 | KDB |
| n0 | 1.39930 | 298.15 | KDB | |
| ρl | 711.00 | kg/m3 | 293.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [295.68; 433.29] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43315e+01 | |||
| Coefficient B | -3.46987e+03 | |||
| Coefficient C | -4.86060e+01 | |||
| Temperature range, min. | 295.68 | |||
| Temperature range, max. | 433.29 | |||
| Pvap | 1.33 | kPa | 295.68 | Calculated Property |
| Pvap | 3.02 | kPa | 310.97 | Calculated Property |
| Pvap | 6.26 | kPa | 326.26 | Calculated Property |
| Pvap | 12.02 | kPa | 341.55 | Calculated Property |
| Pvap | 21.63 | kPa | 356.84 | Calculated Property |
| Pvap | 36.83 | kPa | 372.13 | Calculated Property |
| Pvap | 59.75 | kPa | 387.42 | Calculated Property |
| Pvap | 92.99 | kPa | 402.71 | Calculated Property |
| Pvap | 139.50 | kPa | 418.00 | Calculated Property |
| Pvap | 202.64 | kPa | 433.29 | Calculated Property |
| Pvap | [5.15e-08; 2348.28] | kPa | [160.15; 576.80] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.02542e+02 | |||
| Coefficient B | -8.54380e+03 | |||
| Coefficient C | -1.30419e+01 | |||
| Coefficient D | 8.85387e-06 | |||
| Temperature range, min. | 160.15 | |||
| Temperature range, max. | 576.80 | |||
| Pvap | 5.15e-08 | kPa | 160.15 | Calculated Property |
| Pvap | 3.42e-04 | kPa | 206.44 | Calculated Property |
| Pvap | 0.06 | kPa | 252.74 | Calculated Property |
| Pvap | 1.52 | kPa | 299.03 | Calculated Property |
| Pvap | 13.92 | kPa | 345.33 | Calculated Property |
| Pvap | 68.00 | kPa | 391.62 | Calculated Property |
| Pvap | 223.32 | kPa | 437.92 | Calculated Property |
| Pvap | 567.53 | kPa | 484.21 | Calculated Property |
| Pvap | 1219.41 | kPa | 530.51 | Calculated Property |
| Pvap | 2348.28 | kPa | 576.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,2-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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that the value is more than 2 standard deviations away from the
property mean.