- InChI
- InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
- InChI Key
- CRSOQBOWXPBRES-UHFFFAOYSA-N
- Formula
- C5H12
- SMILES
- CC(C)(C)C
- Molecular Weight1
- 72.15
- CAS
- 463-82-1
- Other Names
-
- 1,1,1-Trimethylethane
- 2,2-dimethylpropane
- Dimethylpropane
- Neo-C5H12
- Propane, 2,2-dimethyl-
- Tetramethylcarbon
- Tetramethylmethane
- UN 2044
- tert-Pentane
- ω : Acentric Factor.
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- 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).
- VCOSTALD : COSTALD Characteristic Volume (m3/kmol).
- ωSRK : SRK acentric factor.
- 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 | [0.1970; 0.1970] |
|
|
| ω | 0.1970 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.1970 | ChemSep v8.3 pure component data Compiled value | |
| ΔcH°gas | -3514.10 ± 0.96 | kJ/mol | NIST |
| ΔcH°liquid | [-3494.40; -3492.40] | kJ/mol |
|
| ΔcH°liquid | -3492.40 ± 0.59 | kJ/mol | NIST |
| ΔcH°liquid | -3494.40 ± 1.00 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | -17.14 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-168.50; -166.00] | kJ/mol |
|
| ΔfH°gas | -168.07 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -167.90 ± 0.63 | kJ/mol | NIST |
| ΔfH°gas | -168.50 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -166.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | [-190.30; -188.20] | kJ/mol |
|
| ΔfH°liquid | -190.30 ± 0.63 | kJ/mol | NIST |
| ΔfH°liquid | -188.20 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 1.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [21.80; 22.40] | kJ/mol |
|
| ΔvapH° | 22.39 | kJ/mol | NIST |
| ΔvapH° | 21.80 | kJ/mol | NIST |
| ΔvapH° | 21.85 | kJ/mol | NIST |
| ΔvapH° | 22.40 ± 0.59 | kJ/mol | NIST |
| IE | [10.21; 11.30] | eV |
|
| IE | 10.30 ± 0.08 | eV | NIST |
| IE | 10.21 ± 0.04 | eV | NIST |
| IE | 10.30 ± 0.10 | eV | NIST |
| IE | 10.40 | eV | NIST |
| IE | 10.35 | eV | NIST |
| IE | 10.90 | eV | NIST |
| IE | 10.90 ± 0.10 | eV | NIST |
| IE | 11.30 | eV | NIST |
| IE | 11.30 | eV | NIST |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 81.310 | ml/mol | McGowan Calculated Property |
| Pc | [3195.79; 3200.00] | kPa |
|
| Pc | 3196.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 3195.79 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3199.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 3200.00 ± 10.00 | kPa | NIST |
| Pc | 3196.30 ± 10.13 | kPa | NIST |
| Pc | 3199.00 ± 20.27 | kPa | NIST |
| Ptriple | [35.75; 35.79] | kPa |
|
| Ptriple | 35.79 ± 0.02 | kPa | Staveley, Lobo and Calado (1981), triple points Compiled value |
| Ptriple | 35.75 | kPa | ChemSep v8.3 pure component data Compiled value |
| ρc | [231.89; 235.21] | kg/m3 |
|
| ρc | 235.21 ± 0.72 | kg/m3 | NIST |
| ρc | 231.89 ± 2.16 | kg/m3 | NIST |
| Inp | [407.60; 415.30] |
|
|
| Inp | 413.00 | NIST | |
| Inp | 412.50 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 408.80 | NIST | |
| Inp | 409.80 | NIST | |
| Inp | 410.60 | NIST | |
| Inp | 411.30 | NIST | |
| Inp | 411.80 | NIST | |
| Inp | 412.10 | NIST | |
| Inp | 412.30 | NIST | |
| Inp | Outlier 407.60 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 411.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 411.00 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 415.30 | NIST | |
| Inp | 408.40 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 414.00 | NIST | |
| Inp | 414.00 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 415.00 | NIST | |
| Inp | 409.00 | NIST | |
| Inp | 409.00 | NIST | |
| Inp | 415.00 | NIST | |
| Inp | 413.00 | NIST | |
| Inp | 410.60 | NIST | |
| Inp | Outlier 407.60 | NIST | |
| Inp | 412.00 | NIST | |
| Inp | 415.30 | NIST | |
| Inp | 414.00 | NIST | |
| Inp | 409.00 | NIST | |
| S°liquid | [216.81; 218.80] | J/mol×K |
|
| S°liquid | 216.81 | J/mol×K | NIST |
| S°liquid | 218.80 | J/mol×K | NIST |
| Tboil | [282.15; 283.00] | K |
|
| Tboil | 282.65 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 282.70 | K | NIST |
| Tboil | 282.70 | K | NIST |
| Tboil | 282.65 ± 0.30 | K | NIST |
| Tboil | 282.65 ± 2.00 | K | NIST |
| Tboil | 282.75 ± 0.30 | K | NIST |
| Tboil | 282.65 ± 0.30 | K | NIST |
| Tboil | 282.65 ± 0.10 | K | NIST |
| Tboil | 282.15 ± 3.00 | K | NIST |
| Tboil | 282.56 ± 0.20 | K | NIST |
| Tboil | 282.60 ± 0.50 | K | NIST |
| Tboil | 282.75 ± 0.50 | K | NIST |
| Tboil | 282.15 ± 1.00 | K | NIST |
| Tboil | 283.00 ± 2.00 | K | NIST |
| Tboil | 282.65 ± 1.00 | K | NIST |
| Tboil | 282.15 ± 2.00 | K | NIST |
| Tboil | 282.15 ± 2.00 | K | NIST |
| Tboil | 282.65 ± 2.00 | K | NIST |
| Tc | [433.75; 433.80] | K |
|
| Tc | 433.80 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 433.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 433.75 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 433.80 ± 0.10 | K | NIST |
| Tc | 433.80 | K | NIST |
| Tc | 433.80 ± 0.20 | K | NIST |
| Tc | 433.75 ± 0.10 | K | NIST |
| Tc | 433.75 ± 0.20 | K | NIST |
| Tfus | [252.65; 256.60] | K |
|
| Tfus | 256.45 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 256.60 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 253.80 ± 0.60 | K | NIST |
| Tfus | 256.57 ± 0.04 | K | NIST |
| Tfus | 256.60 ± 0.03 | K | NIST |
| Tfus | 256.55 ± 0.05 | K | NIST |
| Tfus | 254.15 ± 2.00 | K | NIST |
| Tfus | 252.65 ± 1.00 | K | NIST |
| Tfus | 253.65 ± 0.50 | K | NIST |
| Tfus | 253.00 ± 5.00 | K | NIST |
| Ttriple | [256.53; 256.77] | K |
|
| Ttriple | 256.75 | K | Staveley, Lobo and Calado (1981), triple points Compiled value |
| Ttriple | 256.60 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 256.76 ± 0.02 | K | NIST |
| Ttriple | 256.77 ± 0.03 | K | NIST |
| Ttriple | 256.53 ± 0.02 | K | NIST |
| Ttriple | 256.53 ± 0.02 | K | NIST |
| UQi | 3.39 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.82 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.303; 0.307] | m3/kmol |
|
| Vc | 0.307 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Vc | 0.307 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.303 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.307 | m3/kmol | NIST |
| Vc | 0.304 ± 0.004 | m3/kmol | NIST |
| VCOSTALD | 0.31 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.20 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zc | [0.2690000; 0.2720000] |
|
|
| Zc | 0.2720000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value | |
| Zc | 0.2690000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | [0.28; 0.28] |
|
|
| Zra | 0.28 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zra | 0.28 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.82; 193.38] | J/mol×K | [298.15; 523.15] |
|
| Cp,gas | 120.82 ± 0.25 | J/mol×K | 298.15 | NIST |
| Cp,gas | 129.58 ± 0.26 | J/mol×K | 323.15 | NIST |
| Cp,gas | 138.41 ± 0.28 | J/mol×K | 348.15 | NIST |
| Cp,gas | 147.06 ± 0.29 | J/mol×K | 373.15 | NIST |
| Cp,gas | 155.46 ± 0.31 | J/mol×K | 398.15 | NIST |
| Cp,gas | 163.52 ± 0.32 | J/mol×K | 423.15 | NIST |
| Cp,gas | 171.46 ± 0.34 | J/mol×K | 448.15 | NIST |
| Cp,gas | 178.95 ± 0.36 | J/mol×K | 473.15 | NIST |
| Cp,gas | 186.42 ± 0.37 | J/mol×K | 498.15 | NIST |
| Cp,gas | 193.38 ± 0.39 | J/mol×K | 523.15 | NIST |
| Cp,liquid | [152.90; 163.89] | J/mol×K | [259.93; 280.00] |
|
| Cp,liquid | 153.09 | J/mol×K | 259.93 | NIST |
| Cp,liquid | 152.90 | J/mol×K | 260.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 155.40 | J/mol×K | 265.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 157.90 | J/mol×K | 270.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 159.40 | J/mol×K | 273.15 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 160.30 | J/mol×K | 275.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 163.89 | J/mol×K | 278.92 | NIST |
| Cp,liquid | 162.80 | J/mol×K | 280.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| ΔfusH | [2.58; 3.26] | kJ/mol | [140.00; 256.50] |
|
| ΔfusH | 2.58 | kJ/mol | 140.00 | NIST |
| ΔfusH | 3.26 | kJ/mol | 256.50 | NIST |
| ΔfusH | 3.26 | kJ/mol | 256.50 | NIST |
| ΔsubH | [23.90; 28.20] | kJ/mol | [210.00; 239.50] |
|
| ΔsubH | 23.90 | kJ/mol | 210.00 | NIST |
| ΔsubH | 28.20 | kJ/mol | 239.50 | NIST |
| ΔvapH | [11.10; 24.30] | kJ/mol | [275.00; 410.00] |
|
| ΔvapH | 24.30 | kJ/mol | 275.00 | NIST |
| ΔvapH | 22.75 | kJ/mol | 282.61 | NIST |
| ΔvapH | 22.75 | kJ/mol | 282.61 | NIST |
| ΔvapH | 22.74 | kJ/mol | 282.70 | NIST |
| ΔvapH | 22.80 ± 0.10 | kJ/mol | 283.00 | NIST |
| ΔvapH | 22.80 ± 0.10 | kJ/mol | 283.00 | NIST |
| ΔvapH | 22.20 | kJ/mol | 290.00 | NIST |
| ΔvapH | 24.00 | kJ/mol | 290.50 | NIST |
| ΔvapH | 19.50 | kJ/mol | 330.00 | NIST |
| ΔvapH | 23.10 | kJ/mol | 348.50 | NIST |
| ΔvapH | 16.20 | kJ/mol | 370.00 | NIST |
| ΔvapH | 22.80 | kJ/mol | 388.00 | NIST |
| ΔvapH | 23.10 | kJ/mol | 407.50 | NIST |
| ΔvapH | 11.10 | kJ/mol | 410.00 | NIST |
| ΔfusS | [12.69; 18.41] | J/mol×K | [140.00; 256.50] |
|
| ΔfusS | 18.41 | J/mol×K | 140.00 | NIST |
| ΔfusS | 12.69 | J/mol×K | 256.50 | NIST |
| ΔvapS | [80.50; 80.50] | J/mol×K | [282.61; 282.61] |
|
| ΔvapS | 80.50 | J/mol×K | 282.61 | NIST |
| ΔvapS | 80.50 | J/mol×K | 282.61 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.70; 358.16] | 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 | 3.15250e+01 | |||
| Coefficient B | -3.09560e+02 | |||
| Coefficient C | 5.30224e+00 | |||
| Coefficient D | 8.57910e-04 | |||
| Coefficient E | -2.63950e-07 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 81.70 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 137.98 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 183.75 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 222.27 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 255.57 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 284.50 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 309.30 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 329.95 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 346.28 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 358.16 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [150.17; 167.82] | J/mol×K | [256.60; 288.71] |
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 | 1.16590e+02 | |||
| Coefficient B | 1.46320e+02 | |||
| Coefficient C | -4.98806e+00 | |||
| Coefficient D | 4.49360e-02 | |||
| Coefficient E | -5.46570e-05 | |||
| Temperature range, min. | 256.60 | |||
| Temperature range, max. | 288.71 | |||
| Cp,liquid | 150.17 | J/mol×K | 256.60 | Calculated Property |
| Cp,liquid | 151.95 | J/mol×K | 260.17 | Calculated Property |
| Cp,liquid | 153.79 | J/mol×K | 263.74 | Calculated Property |
| Cp,liquid | 155.67 | J/mol×K | 267.30 | Calculated Property |
| Cp,liquid | 157.60 | J/mol×K | 270.87 | Calculated Property |
| Cp,liquid | 159.57 | J/mol×K | 274.44 | Calculated Property |
| Cp,liquid | 161.58 | J/mol×K | 278.01 | Calculated Property |
| Cp,liquid | 163.63 | J/mol×K | 281.57 | Calculated Property |
| Cp,liquid | 165.71 | J/mol×K | 285.14 | Calculated Property |
| Cp,liquid | 167.82 | J/mol×K | 288.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004440; 0.0001659] | Pa×s | [256.60; 333.00] |
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 | -3.68610e+01 | |||
| Coefficient B | 2.45950e+03 | |||
| Coefficient C | 3.44160e+00 | |||
| Coefficient D | 7.04740e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 256.60 | |||
| Temperature range, max. | 333.00 | |||
| η | 0.0004440 | Pa×s | 256.60 | Calculated Property |
| η | 0.0003770 | Pa×s | 265.09 | Calculated Property |
| η | 0.0003254 | Pa×s | 273.58 | Calculated Property |
| η | 0.0002851 | Pa×s | 282.07 | Calculated Property |
| η | 0.0002532 | Pa×s | 290.56 | Calculated Property |
| η | 0.0002278 | Pa×s | 299.04 | Calculated Property |
| η | 0.0002073 | Pa×s | 307.53 | Calculated Property |
| η | 0.0001906 | Pa×s | 316.02 | Calculated Property |
| η | 0.0001770 | Pa×s | 324.51 | Calculated Property |
| η | 0.0001659 | Pa×s | 333.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [24.12; 0.00] | kJ/mol | [256.60; 433.75] |
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 | 3.39570e+01 | |||
| Coefficient B | 3.82080e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 4.33750e+02 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 433.8 K. | |||
| Temperature range, min. | 256.60 | |||
| Temperature range, max. | 433.75 | |||
| ΔvapH | 24.12 | kJ/mol | 256.60 | Calculated Property |
| ΔvapH | 23.06 | kJ/mol | 276.28 | Calculated Property |
| ΔvapH | 21.91 | kJ/mol | 295.97 | Calculated Property |
| ΔvapH | 20.66 | kJ/mol | 315.65 | Calculated Property |
| ΔvapH | 19.27 | kJ/mol | 335.33 | Calculated Property |
| ΔvapH | 17.69 | kJ/mol | 355.02 | Calculated Property |
| ΔvapH | 15.85 | kJ/mol | 374.70 | Calculated Property |
| ΔvapH | 13.58 | kJ/mol | 394.38 | Calculated Property |
| ΔvapH | 10.42 | kJ/mol | 414.07 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 433.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [21.15; 3204.20] | kPa | [246.05; 433.75] |
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 | 7.89792e+01 | |||
| Coefficient B | -5.16900e+03 | |||
| Coefficient C | -1.01190e+01 | |||
| Coefficient D | 1.30610e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 433.8 K. | |||
| Temperature range, min. | 246.05 | |||
| Temperature range, max. | 433.75 | |||
| Pvap | 21.15 | kPa | 246.05 | Calculated Property |
| Pvap | 55.12 | kPa | 266.91 | Calculated Property |
| Pvap | 121.86 | kPa | 287.76 | Calculated Property |
| Pvap | 237.74 | kPa | 308.62 | Calculated Property |
| Pvap | 421.36 | kPa | 329.47 | Calculated Property |
| Pvap | 693.37 | kPa | 350.33 | Calculated Property |
| Pvap | 1077.04 | kPa | 371.18 | Calculated Property |
| Pvap | 1599.63 | kPa | 392.04 | Calculated Property |
| Pvap | 2294.55 | kPa | 412.89 | Calculated Property |
| Pvap | 3204.20 | kPa | 433.75 | Calculated Property |
| Pvap | [35.45; 3189.08] | kPa | [256.58; 433.78] |
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 | 6.55175e+01 | |||
| Coefficient B | -4.67668e+03 | |||
| Coefficient C | -8.00342e+00 | |||
| Coefficient D | 1.02687e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 256.58 | |||
| Temperature range, max. | 433.78 | |||
| Pvap | 35.45 | kPa | 256.58 | Calculated Property |
| Pvap | 80.09 | kPa | 276.27 | Calculated Property |
| Pvap | 159.81 | kPa | 295.96 | Calculated Property |
| Pvap | 289.40 | kPa | 315.65 | Calculated Property |
| Pvap | 485.45 | kPa | 335.34 | Calculated Property |
| Pvap | 766.20 | kPa | 355.02 | Calculated Property |
| Pvap | 1151.89 | kPa | 374.71 | Calculated Property |
| Pvap | 1665.44 | kPa | 394.40 | Calculated Property |
| Pvap | 2333.72 | kPa | 414.09 | Calculated Property |
| Pvap | 3189.08 | kPa | 433.78 | Calculated Property |
| Pvap | [1.37; 144.81] | kPa | [205.70; 293.16] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.21699e+01 | |||
| Coefficient B | -1.60065e+03 | |||
| Coefficient C | -7.06790e+01 | |||
| Reference | Hopfner, Parekh, et al., 1975 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 205.70 | |||
| Temperature range, max. | 293.16 | |||
| Pvap | 1.37 | kPa | 205.70 | Calculated Property |
| Pvap | 3.04 | kPa | 215.42 | Calculated Property |
| Pvap | 6.09 | kPa | 225.14 | Calculated Property |
| Pvap | 11.25 | kPa | 234.85 | Calculated Property |
| Pvap | 19.40 | kPa | 244.57 | Calculated Property |
| Pvap | 31.57 | kPa | 254.29 | Calculated Property |
| Pvap | 48.93 | kPa | 264.01 | Calculated Property |
| Pvap | 72.73 | kPa | 273.72 | Calculated Property |
| Pvap | 104.25 | kPa | 283.44 | Calculated Property |
| Pvap | 144.81 | kPa | 293.16 | Calculated Property |
| Pvap | [57.82; 270.01] | kPa | [268.02; 313.20] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35017e+01 | |||
| Coefficient B | -2.18819e+03 | |||
| Coefficient C | -3.63290e+01 | |||
| Reference | Osborn and Douslin, 1974 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 268.02 | |||
| Temperature range, max. | 313.20 | |||
| Pvap | 57.82 | kPa | 268.02 | Calculated Property |
| Pvap | 70.64 | kPa | 273.04 | Calculated Property |
| Pvap | 85.59 | kPa | 278.06 | Calculated Property |
| Pvap | 102.90 | kPa | 283.08 | Calculated Property |
| Pvap | 122.80 | kPa | 288.10 | Calculated Property |
| Pvap | 145.54 | kPa | 293.12 | Calculated Property |
| Pvap | 171.37 | kPa | 298.14 | Calculated Property |
| Pvap | 200.55 | kPa | 303.16 | Calculated Property |
| Pvap | 233.35 | kPa | 308.18 | Calculated Property |
| Pvap | 270.01 | kPa | 313.20 | Calculated Property |
| Pvap | [585.47; 3146.80] | kPa | [343.00; 433.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52343e+01 | |||
| Coefficient B | -3.40522e+03 | |||
| Coefficient C | 4.12560e+01 | |||
| Reference | Dawson, Silberberg, et al., 1973 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 343.00 | |||
| Temperature range, max. | 433.00 | |||
| Pvap | 585.47 | kPa | 343.00 | Calculated Property |
| Pvap | 733.04 | kPa | 353.00 | Calculated Property |
| Pvap | 907.64 | kPa | 363.00 | Calculated Property |
| Pvap | 1112.30 | kPa | 373.00 | Calculated Property |
| Pvap | 1350.11 | kPa | 383.00 | Calculated Property |
| Pvap | 1624.20 | kPa | 393.00 | Calculated Property |
| Pvap | 1937.74 | kPa | 403.00 | Calculated Property |
| Pvap | 2293.91 | kPa | 413.00 | Calculated Property |
| Pvap | 2695.89 | kPa | 423.00 | Calculated Property |
| Pvap | 3146.80 | kPa | 433.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [630.22; 257.17] | kg/m3 | [256.60; 433.75] |
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 | 6.51114e+01 | |||
| Coefficient B | 2.77500e-01 | |||
| Coefficient C | 4.33800e+02 | |||
| Coefficient D | 2.90850e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 433.8 K. | |||
| Temperature range, min. | 256.60 | |||
| Temperature range, max. | 433.75 | |||
| ρl | 630.22 | kg/m3 | 256.60 | Calculated Property |
| ρl | 609.61 | kg/m3 | 276.28 | Calculated Property |
| ρl | 587.84 | kg/m3 | 295.97 | Calculated Property |
| ρl | 564.65 | kg/m3 | 315.65 | Calculated Property |
| ρl | 539.62 | kg/m3 | 335.33 | Calculated Property |
| ρl | 512.12 | kg/m3 | 355.02 | Calculated Property |
| ρl | 481.04 | kg/m3 | 374.70 | Calculated Property |
| ρl | 444.15 | kg/m3 | 394.38 | Calculated Property |
| ρl | 395.38 | kg/m3 | 414.07 | Calculated Property |
| ρl | 257.17 | kg/m3 | 433.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.02; 3.59e-04] | N/m | [256.58; 424.47] |
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 | -3.39830e-03 | |||
| Coefficient B | 7.25980e+02 | |||
| Coefficient C | -1.12960e+01 | |||
| Coefficient D | 2.97330e-02 | |||
| Coefficient E | -4.78370e-05 | |||
| Temperature range, min. | 256.58 | |||
| Temperature range, max. | 424.47 | |||
| γ | 0.02 | N/m | 256.58 | Calculated Property |
| γ | 0.01 | N/m | 275.23 | Calculated Property |
| γ | 0.01 | N/m | 293.89 | Calculated Property |
| γ | 0.01 | N/m | 312.54 | Calculated Property |
| γ | 0.01 | N/m | 331.20 | Calculated Property |
| γ | 0.01 | N/m | 349.85 | Calculated Property |
| γ | 0.00 | N/m | 368.51 | Calculated Property |
| γ | 0.00 | N/m | 387.16 | Calculated Property |
| γ | 0.00 | N/m | 405.82 | Calculated Property |
| γ | 3.59e-04 | N/m | 424.47 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.12] | W/m×K | [256.60; 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 | 4.47290e-06 | |||
| Coefficient B | 1.46440e+00 | |||
| Coefficient C | -1.42950e+02 | |||
| Coefficient D | 6.61800e+04 | |||
| Temperature range, min. | 256.60 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 256.60 | Calculated Property |
| λgas | 0.02 | W/m×K | 339.20 | Calculated Property |
| λgas | 0.03 | W/m×K | 421.80 | Calculated Property |
| λgas | 0.04 | W/m×K | 504.40 | Calculated Property |
| λgas | 0.05 | W/m×K | 587.00 | Calculated Property |
| λgas | 0.07 | W/m×K | 669.60 | Calculated Property |
| λgas | 0.08 | W/m×K | 752.20 | Calculated Property |
| λgas | 0.09 | W/m×K | 834.80 | Calculated Property |
| λgas | 0.11 | W/m×K | 917.40 | Calculated Property |
| λgas | 0.12 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.11; 0.10] | W/m×K | [250.00; 282.65] |
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 | 2.76670e-02 | |||
| Coefficient B | -2.43530e+02 | |||
| Coefficient C | 8.33950e-01 | |||
| Coefficient D | -1.07540e-02 | |||
| Coefficient E | 5.88490e-06 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 282.65 | |||
| λliquid | 0.11 | W/m×K | 250.00 | Calculated Property |
| λliquid | 0.11 | W/m×K | 253.63 | Calculated Property |
| λliquid | 0.11 | W/m×K | 257.26 | Calculated Property |
| λliquid | 0.11 | W/m×K | 260.88 | Calculated Property |
| λliquid | 0.11 | W/m×K | 264.51 | Calculated Property |
| λliquid | 0.11 | W/m×K | 268.14 | Calculated Property |
| λliquid | 0.11 | W/m×K | 271.77 | Calculated Property |
| λliquid | 0.10 | W/m×K | 275.39 | Calculated Property |
| λliquid | 0.10 | W/m×K | 279.02 | Calculated Property |
| λliquid | 0.10 | W/m×K | 282.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Neopentane.
Mixtures
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
- 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.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
- 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
- Bubble Point Measurements of Neopentane + Ethane Mixtures
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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