- InChI
- InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3
- InChI Key
- VRVRZZWPKABUOE-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)CC(C)(C)CC
- Molecular Weight1
- 142.28
- CAS
- 7154-80-5
- Other Names
-
- 3,3,5-Trimethylheptane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- Ptriple : Triple Point 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).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.3820; 0.3830] |
|
|
| ω | 0.3830 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3820 | KDB | |
| AP | 343.150 | K | KDB |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [32.30; 33.58] | kJ/mol |
|
| ΔfG° | 32.30 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 33.58 | kJ/mol | KDB |
| Δc,grossH | 6775.90 | kJ/mol | KDB |
| Δc,netH | 6291.816 | kJ/mol | KDB |
| ΔfH°gas | [-258.80; -258.70] | kJ/mol |
|
| ΔfH°gas | -258.80 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -258.70 | kJ/mol | KDB |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | [2317.00; 2320.00] | kPa |
|
| Pc | 2320.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 2320.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 2320.00 | kPa | KDB |
| Pc | 2320.00 ± 40.00 | kPa | NIST |
| Pc | 2317.00 ± 20.00 | kPa | NIST |
| Ptriple | 1.52e-08 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [906.00; 913.20] |
|
|
| Inp | 908.00 | NIST | |
| Inp | 907.70 | NIST | |
| Inp | 907.70 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 913.20 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 913.20 | NIST | |
| Tboil | [428.80; 434.70] | K |
|
| Tboil | 428.83 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 428.80 | K | KDB |
| Tboil | 428.80 ± 0.30 | K | NIST |
| Tboil | 434.70 ± 1.50 | K | NIST |
| Tboil | 428.83 ± 0.30 | K | NIST |
| Tc | [609.50; 609.60] | K |
|
| Tc | 609.50 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 609.60 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 609.50 | K | KDB |
| Tc | 609.50 ± 0.50 | K | NIST |
| Tc | 609.55 ± 0.15 | K | NIST |
| Tfus | [165.00; 219.00] | K |
|
| Tfus | 165.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 219.00 | K | KDB |
| Ttriple | 165.00 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 6.09 | ChemSep v8.3 pure component data Compiled value | |
| URi | 7.20 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.564 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2580000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 36.65 | kJ/mol | 428.90 | KDB |
| n0 | 1.41470 | 298.15 | KDB | |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.24; 649.37] | J/mol×K | [200.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.34500e+01 | |||
| Coefficient B | -4.61090e+02 | |||
| Coefficient C | 6.38624e+00 | |||
| Coefficient D | 3.15820e-04 | |||
| Coefficient E | -1.03090e-07 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 156.24 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 264.88 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 356.64 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 429.37 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 487.58 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 534.80 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 573.34 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 604.68 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 629.79 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 649.37 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [237.06; 431.38] | J/mol×K | [165.00; 457.16] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.81900e+02 | |||
| Coefficient B | 8.87780e+01 | |||
| Coefficient C | 1.83204e+00 | |||
| Coefficient D | 1.12390e-02 | |||
| Coefficient E | -7.87050e-06 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 457.16 | |||
| Cp,liquid | 237.06 | J/mol×K | 165.00 | Calculated Property |
| Cp,liquid | 248.19 | J/mol×K | 197.46 | Calculated Property |
| Cp,liquid | 262.24 | J/mol×K | 229.92 | Calculated Property |
| Cp,liquid | 279.17 | J/mol×K | 262.39 | Calculated Property |
| Cp,liquid | 298.96 | J/mol×K | 294.85 | Calculated Property |
| Cp,liquid | 321.49 | J/mol×K | 327.31 | Calculated Property |
| Cp,liquid | 346.51 | J/mol×K | 359.77 | Calculated Property |
| Cp,liquid | 373.58 | J/mol×K | 392.24 | Calculated Property |
| Cp,liquid | 402.13 | J/mol×K | 424.70 | Calculated Property |
| Cp,liquid | 431.38 | J/mol×K | 457.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0434874; 0.0000775] | Pa×s | [165.00; 548.64] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -7.87950e+00 | |||
| Coefficient B | 1.29480e+03 | |||
| Coefficient C | -6.05490e-01 | |||
| Coefficient D | -4.20860e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 548.64 | |||
| η | 0.0434874 | Pa×s | 165.00 | Calculated Property |
| η | 0.0075050 | Pa×s | 207.63 | Calculated Property |
| η | 0.0022980 | Pa×s | 250.25 | Calculated Property |
| η | 0.0009744 | Pa×s | 292.88 | Calculated Property |
| η | 0.0005060 | Pa×s | 335.51 | Calculated Property |
| η | 0.0003008 | Pa×s | 378.13 | Calculated Property |
| η | 0.0001964 | Pa×s | 420.76 | Calculated Property |
| η | 0.0001374 | Pa×s | 463.39 | Calculated Property |
| η | 0.0001012 | Pa×s | 506.01 | Calculated Property |
| η | 0.0000775 | Pa×s | 548.64 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [54.10; 2.33] | kJ/mol | [165.00; 609.50] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 5.69204e+01 | |||
| Coefficient B | -3.69689e-01 | |||
| Coefficient C | 2.78835e+00 | |||
| Coefficient D | -3.43047e+00 | |||
| Coefficient E | 1.37842e+00 | |||
| Critical temperature, Tc (K) | 6.09600e+02 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 609.50 | |||
| ΔvapH | 54.10 | kJ/mol | 165.00 | Calculated Property |
| ΔvapH | 51.15 | kJ/mol | 214.39 | Calculated Property |
| ΔvapH | 47.85 | kJ/mol | 263.78 | Calculated Property |
| ΔvapH | 44.41 | kJ/mol | 313.17 | Calculated Property |
| ΔvapH | 40.93 | kJ/mol | 362.56 | Calculated Property |
| ΔvapH | 37.38 | kJ/mol | 411.94 | Calculated Property |
| ΔvapH | 33.58 | kJ/mol | 461.33 | Calculated Property |
| ΔvapH | 29.09 | kJ/mol | 510.72 | Calculated Property |
| ΔvapH | 22.74 | kJ/mol | 560.11 | Calculated Property |
| ΔvapH | 2.33 | kJ/mol | 609.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [313.33; 457.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42396e+01 | |||
| Coefficient B | -3.58051e+03 | |||
| Coefficient C | -5.67030e+01 | |||
| Temperature range, min. | 313.33 | |||
| Temperature range, max. | 457.74 | |||
| Pvap | 1.33 | kPa | 313.33 | Calculated Property |
| Pvap | 3.03 | kPa | 329.38 | Calculated Property |
| Pvap | 6.28 | kPa | 345.42 | Calculated Property |
| Pvap | 12.07 | kPa | 361.47 | Calculated Property |
| Pvap | 21.73 | kPa | 377.51 | Calculated Property |
| Pvap | 36.98 | kPa | 393.56 | Calculated Property |
| Pvap | 59.96 | kPa | 409.60 | Calculated Property |
| Pvap | 93.21 | kPa | 425.65 | Calculated Property |
| Pvap | 139.68 | kPa | 441.69 | Calculated Property |
| Pvap | 202.64 | kPa | 457.74 | Calculated Property |
| Pvap | [1.60e-08; 2401.62] | kPa | [165.00; 609.50] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58162e+02 | |||
| Coefficient B | -1.08738e+04 | |||
| Coefficient C | -2.16778e+01 | |||
| Coefficient D | 1.74271e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 609.50 | |||
| Pvap | 1.60e-08 | kPa | 165.00 | Calculated Property |
| Pvap | 2.98e-04 | kPa | 214.39 | Calculated Property |
| Pvap | 0.07 | kPa | 263.78 | Calculated Property |
| Pvap | 1.77 | kPa | 313.17 | Calculated Property |
| Pvap | 15.03 | kPa | 362.56 | Calculated Property |
| Pvap | 66.94 | kPa | 411.94 | Calculated Property |
| Pvap | 205.75 | kPa | 461.33 | Calculated Property |
| Pvap | 511.81 | kPa | 510.72 | Calculated Property |
| Pvap | 1136.76 | kPa | 560.11 | Calculated Property |
| Pvap | 2401.62 | kPa | 609.50 | Calculated Property |
| Pvap | [1.35; 2332.16] | kPa | [313.00; 609.50] |
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 | 9.70461e+01 | |||
| Coefficient B | -8.69026e+03 | |||
| Coefficient C | -1.21313e+01 | |||
| Coefficient D | 7.43061e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 313.00 | |||
| Temperature range, max. | 609.50 | |||
| Pvap | 1.35 | kPa | 313.00 | Calculated Property |
| Pvap | 6.63 | kPa | 345.94 | Calculated Property |
| Pvap | 23.33 | kPa | 378.89 | Calculated Property |
| Pvap | 64.51 | kPa | 411.83 | Calculated Property |
| Pvap | 149.29 | kPa | 444.78 | Calculated Property |
| Pvap | 302.55 | kPa | 477.72 | Calculated Property |
| Pvap | 554.87 | kPa | 510.67 | Calculated Property |
| Pvap | 943.62 | kPa | 543.61 | Calculated Property |
| Pvap | 1515.66 | kPa | 576.56 | Calculated Property |
| Pvap | 2332.16 | kPa | 609.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [828.76; 249.27] | kg/m3 | [165.00; 609.50] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 4.66656e+01 | |||
| Coefficient B | 2.24650e-01 | |||
| Coefficient C | 6.09600e+02 | |||
| Coefficient D | 2.41300e-01 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 609.50 | |||
| ρl | 828.76 | kg/m3 | 165.00 | Calculated Property |
| ρl | 797.25 | kg/m3 | 214.39 | Calculated Property |
| ρl | 763.97 | kg/m3 | 263.78 | Calculated Property |
| ρl | 728.50 | kg/m3 | 313.17 | Calculated Property |
| ρl | 690.22 | kg/m3 | 362.56 | Calculated Property |
| ρl | 648.13 | kg/m3 | 411.94 | Calculated Property |
| ρl | 600.54 | kg/m3 | 461.33 | Calculated Property |
| ρl | 544.00 | kg/m3 | 510.72 | Calculated Property |
| ρl | 469.13 | kg/m3 | 560.11 | Calculated Property |
| ρl | 249.27 | kg/m3 | 609.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 3.72e-06] | N/m | [165.00; 605.94] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -7.90180e-03 | |||
| Coefficient B | 4.71030e+01 | |||
| Coefficient C | -3.40970e+00 | |||
| Coefficient D | 9.28650e-04 | |||
| Coefficient E | -5.64030e-06 | |||
| Comment | Range stopped where the equation turns negative; ChemSep gives it to 609.5 K. | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 605.94 | |||
| γ | 0.04 | N/m | 165.00 | Calculated Property |
| γ | 0.03 | N/m | 213.99 | Calculated Property |
| γ | 0.03 | N/m | 262.99 | Calculated Property |
| γ | 0.02 | N/m | 311.98 | Calculated Property |
| γ | 0.02 | N/m | 360.98 | Calculated Property |
| γ | 0.01 | N/m | 409.97 | Calculated Property |
| γ | 0.01 | N/m | 458.96 | Calculated Property |
| γ | 0.01 | N/m | 507.96 | Calculated Property |
| γ | 0.00 | N/m | 556.95 | Calculated Property |
| γ | 3.72e-06 | N/m | 605.94 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.09] | W/m×K | [165.00; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 4.24930e-05 | |||
| Coefficient B | 1.12110e+00 | |||
| Coefficient C | -8.92980e+01 | |||
| Coefficient D | 1.67970e+05 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 165.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 257.78 | Calculated Property |
| λgas | 0.01 | W/m×K | 350.56 | Calculated Property |
| λgas | 0.02 | W/m×K | 443.33 | Calculated Property |
| λgas | 0.03 | W/m×K | 536.11 | Calculated Property |
| λgas | 0.05 | W/m×K | 628.89 | Calculated Property |
| λgas | 0.06 | W/m×K | 721.67 | Calculated Property |
| λgas | 0.07 | W/m×K | 814.44 | Calculated Property |
| λgas | 0.08 | W/m×K | 907.22 | Calculated Property |
| λgas | 0.09 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.13; 0.06] | W/m×K | [165.00; 550.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 3.78090e-03 | |||
| Coefficient B | -3.90520e+01 | |||
| Coefficient C | -1.50720e+00 | |||
| Coefficient D | -1.93670e-03 | |||
| Coefficient E | -8.68620e-07 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 550.00 | |||
| λliquid | 0.13 | W/m×K | 165.00 | Calculated Property |
| λliquid | 0.12 | W/m×K | 207.78 | Calculated Property |
| λliquid | 0.11 | W/m×K | 250.56 | Calculated Property |
| λliquid | 0.11 | W/m×K | 293.33 | Calculated Property |
| λliquid | 0.10 | W/m×K | 336.11 | Calculated Property |
| λliquid | 0.09 | W/m×K | 378.89 | Calculated Property |
| λliquid | 0.08 | W/m×K | 421.67 | Calculated Property |
| λliquid | 0.07 | W/m×K | 464.44 | Calculated Property |
| λliquid | 0.07 | W/m×K | 507.22 | Calculated Property |
| λliquid | 0.06 | W/m×K | 550.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3,3,5-trimethyl-.
Sources
- KDB Vapor Pressure Data
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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