- InChI
- InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
- InChI Key
- VKPSKYDESGTTFR-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CC(CC(C)(C)C)CC(C)(C)C
- Molecular Weight1
- 170.33
- CAS
- 13475-82-6
- Other Names
-
- 2,2,4,6,6-Pentamethylheptane
- Permethyl 99A
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- I : Polar retention indices.
- csound,fluid : Speed of sound in fluid (m/s).
- 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° | 53.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [48.97; 49.00] | kJ/mol |
|
| ΔvapH° | 48.97 | kJ/mol | NIST |
| ΔvapH° | 49.00 ± 0.20 | kJ/mol | NIST |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.495 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [980.00; 1003.00] |
|
|
| Inp | 990.00 | NIST | |
| Inp | Outlier 980.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 990.04 | NIST | |
| Inp | 992.84 | NIST | |
| Inp | 994.39 | NIST | |
| Inp | 987.85 | NIST | |
| Inp | 990.16 | NIST | |
| Inp | 992.02 | NIST | |
| Inp | Outlier 1003.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 987.85 | NIST | |
| Inp | Outlier 980.00 | NIST | |
| I | [915.00; 957.00] |
|
|
| I | 957.00 | NIST | |
| I | 954.00 | NIST | |
| I | 956.00 | NIST | |
| I | 943.00 | NIST | |
| I | 915.00 | NIST | |
| I | 915.00 | NIST | |
| Tboil | 467.06 | K | Joback Calculated Property |
| Tc | 651.57 | K | Joback Calculated Property |
| Tfus | [203.00; 206.23] | K |
|
| Tfus | 206.18 ± 0.08 | K | NIST |
| Tfus | 206.17 ± 0.07 | K | NIST |
| Tfus | 206.23 ± 0.06 | K | NIST |
| Tfus | 206.18 ± 0.06 | K | NIST |
| Tfus | 206.23 ± 0.03 | K | NIST |
| Tfus | 206.18 ± 0.08 | K | NIST |
| Tfus | 206.23 ± 0.05 | K | NIST |
| Tfus | 203.00 ± 3.00 | K | NIST |
| Tfus | 203.20 ± 3.00 | K | NIST |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.05; 516.26] | J/mol×K | [467.06; 651.57] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 420 440 460 480 500 520 500 550 600 650 | ||||
| Cp,gas | 411.05 | J/mol×K | 467.06 | Joback Calculated Property |
| Cp,gas | 431.10 | J/mol×K | 497.81 | Joback Calculated Property |
| Cp,gas | 450.08 | J/mol×K | 528.56 | Joback Calculated Property |
| Cp,gas | 468.04 | J/mol×K | 559.31 | Joback Calculated Property |
| Cp,gas | 485.02 | J/mol×K | 590.07 | Joback Calculated Property |
| Cp,gas | 501.08 | J/mol×K | 620.82 | Joback Calculated Property |
| Cp,gas | 516.26 | J/mol×K | 651.57 | Joback Calculated Property |
| Cp,liquid | [350.98; 350.98] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 350.98 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 350.98 | J/mol×K | 298.15 | NIST |
| η | [0.0002036; 0.0280272] | Pa×s | [214.84; 467.06] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 300 400 | ||||
| η | 0.0280272 | Pa×s | 214.84 | Joback Calculated Property |
| η | 0.0063015 | Pa×s | 256.88 | Joback Calculated Property |
| η | 0.0021558 | Pa×s | 298.91 | Joback Calculated Property |
| η | 0.0009608 | Pa×s | 340.95 | Joback Calculated Property |
| η | 0.0005113 | Pa×s | 382.99 | Joback Calculated Property |
| η | 0.0003083 | Pa×s | 425.02 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 467.06 | Joback Calculated Property |
| ρl | [685.40; 775.80] | kg/m3 | [253.15; 373.15] |
|
|
T(K) Liquid Density (kg/m3) 680 700 720 740 760 780 300 350 | ||||
| ρl | 775.80 | kg/m3 | 253.15 | Density... |
| ρl | 748.80 | kg/m3 | 288.15 | Density... |
| ρl | 745.20 | kg/m3 | 293.15 | Density... |
| ρl | 745.21 | kg/m3 | 293.15 | Density... |
| ρl | 745.50 | kg/m3 | 293.15 | Density... |
| ρl | 737.90 | kg/m3 | 303.15 | Density... |
| ρl | 737.93 | kg/m3 | 303.15 | Density... |
| ρl | 738.20 | kg/m3 | 303.15 | Density... |
| ρl | 730.60 | kg/m3 | 313.15 | Density... |
| ρl | 730.90 | kg/m3 | 313.15 | Density... |
| ρl | 730.61 | kg/m3 | 313.15 | Density... |
| ρl | 723.50 | kg/m3 | 323.15 | Density... |
| ρl | 723.26 | kg/m3 | 323.15 | Density... |
| ρl | 723.20 | kg/m3 | 323.15 | Density... |
| ρl | 715.80 | kg/m3 | 333.15 | Density... |
| ρl | 715.86 | kg/m3 | 333.15 | Density... |
| ρl | 716.10 | kg/m3 | 333.15 | Density... |
| ρl | 708.42 | kg/m3 | 343.15 | Density... |
| ρl | 708.60 | kg/m3 | 343.15 | Density... |
| ρl | 700.90 | kg/m3 | 353.15 | Density... |
| ρl | 700.70 | kg/m3 | 353.15 | Density... |
| ρl | 693.20 | kg/m3 | 363.15 | Density... |
| ρl | 693.10 | kg/m3 | 363.15 | Density... |
| ρl | 685.50 | kg/m3 | 373.15 | Density... |
| ρl | 685.40 | kg/m3 | 373.15 | Density... |
| csound,fluid | [1052.50; 1203.60] | m/s | [293.15; 333.15] |
|
|
T(K) Speed of sound in fluid (m/s) 1050 1100 1150 1200 300 310 320 330 | ||||
| csound,fluid | 1203.60 | m/s | 293.15 | Density... |
| csound,fluid | 1164.80 | m/s | 303.15 | Density... |
| csound,fluid | 1126.70 | m/s | 313.15 | Density... |
| csound,fluid | 1089.30 | m/s | 323.15 | Density... |
| csound,fluid | 1052.50 | m/s | 333.15 | Density... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [332.18; 481.97] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.33897e+01 | |||
| Coefficient B | -3.15580e+03 | |||
| Coefficient C | -9.13150e+01 | |||
| Temperature range, min. | 332.18 | |||
| Temperature range, max. | 481.97 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 332.18 | Calculated Property |
| Pvap | 3.11 | kPa | 348.82 | Calculated Property |
| Pvap | 6.54 | kPa | 365.47 | Calculated Property |
| Pvap | 12.65 | kPa | 382.11 | Calculated Property |
| Pvap | 22.76 | kPa | 398.75 | Calculated Property |
| Pvap | 38.55 | kPa | 415.40 | Calculated Property |
| Pvap | 62.03 | kPa | 432.04 | Calculated Property |
| Pvap | 95.49 | kPa | 448.68 | Calculated Property |
| Pvap | 141.45 | kPa | 465.33 | Calculated Property |
| Pvap | 202.64 | kPa | 481.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,2,4,6,6-pentamethyl-.
Mixtures
- Heptane, 2,2,4,6,6-pentamethyl- + Benzene, hexyl-
- Heptane, 2,2,4,6,6-pentamethyl- + Benzene, n-butyl-
- Heptane, 2,2,4,6,6-pentamethyl- + Hexadecane
- Heptane, 2,2,4,6,6-pentamethyl- + Dodecane
- Heptane, 2,2,4,6,6-pentamethyl- + Nonane, 2,2,4,4,6,8,8-heptamethyl-
Sources
- Crippen Method
- Crippen Method
- Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of n-Hexylbenzene (1) or n-Butylbenzene (1) in 2,2,4,6,6-Pentamethylheptane (2) or 2,2,4,4,6,8,8-Heptamethylnonane (2) at 0.1 MPa
- Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Direct Sugar to Hydrocarbon Diesel (DSH-76) and Binary Mixtures of N-Hexadecane and 2,2,4,6,6-Pentamethylheptane
- Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of n-Dodecane with 2,2,4,6,6-Pentamethylheptane or 2,2,4,4,6,8,8-Heptamethylnonane
- Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of 2,2,4,6,6-Pentamethylheptane and 2,2,4,4,6,8,8-Heptamethylnonane at (293.15 to 373.15) K and 0.1 MPa and Comparisons with Alcohol-to-Jet Fuel
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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