- InChI
- InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
- InChI Key
- FNAZRRHPUDJQCJ-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 296.57
- CAS
- 629-94-7
- Other Names
-
- henicosane
- n-Heneicosane
- n-henicosane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- vspec : Specific Volume (m3/kg).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 125.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.15 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 142.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | [106.80; 109.40] | kJ/mol |
|
| ΔvapH° | 106.80 | kJ/mol | NIST |
| ΔvapH° | 109.40 ± 2.60 | kJ/mol | NIST |
| log10WS | -8.61 | Crippen Calculated Property | |
| logPoct/wat | 8.438 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | [1000.00; 1030.00] | kPa |
|
| Pc | 1030.00 | kPa | KDB |
| Pc | 1000.00 ± 200.00 | kPa | NIST |
| Pc | 1030.00 ± 40.00 | kPa | NIST |
| Inp | [342.11; 360.70] |
|
|
| Inp | 342.11 | NIST | |
| Inp | 348.41 | NIST | |
| Inp | 360.40 | NIST | |
| Inp | 360.70 | NIST | |
| Inp | 342.11 | NIST | |
| Tboil | [629.70; 635.10] | K |
|
| Tboil | 629.70 | K | NIST |
| Tboil | 635.10 ± 1.50 | K | NIST |
| Tc | [777.60; 779.00] | K |
|
| Tc | 778.00 | K | KDB |
| Tc | 779.00 | K | Critica... |
| Tc | 778.00 ± 8.00 | K | NIST |
| Tc | 777.60 ± 3.00 | K | NIST |
| Tfus | 326.43 | K | Joback Calculated Property |
| Ttriple | 305.05 | K | Effect ... |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [900.73; 1016.08] | J/mol×K | [679.88; 841.70] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 900 920 940 960 980 1000 1020 700 750 800 | ||||
| Cp,gas | 900.73 | J/mol×K | 679.88 | Joback Calculated Property |
| Cp,gas | 922.09 | J/mol×K | 706.85 | Joback Calculated Property |
| Cp,gas | 942.56 | J/mol×K | 733.82 | Joback Calculated Property |
| Cp,gas | 962.16 | J/mol×K | 760.79 | Joback Calculated Property |
| Cp,gas | 980.93 | J/mol×K | 787.76 | Joback Calculated Property |
| Cp,gas | 998.90 | J/mol×K | 814.73 | Joback Calculated Property |
| Cp,gas | 1016.08 | J/mol×K | 841.70 | Joback Calculated Property |
| Cp,liquid | 666.40 | J/mol×K | 315.93 | NIST |
| η | [0.0000858; 0.0032793] | Pa×s | [326.43; 679.88] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 400 500 600 | ||||
| η | 0.0032793 | Pa×s | 326.43 | Joback Calculated Property |
| η | 0.0011232 | Pa×s | 385.34 | Joback Calculated Property |
| η | 0.0005112 | Pa×s | 444.25 | Joback Calculated Property |
| η | 0.0002797 | Pa×s | 503.15 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 562.06 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 620.97 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 679.88 | Joback Calculated Property |
| ΔfusH | [15.48; 47.70] | kJ/mol | [305.70; 313.70] |
|
| ΔfusH | 15.48 | kJ/mol | 305.70 | NIST |
| ΔfusH | 46.60 | kJ/mol | 313.00 | NIST |
| ΔfusH | 47.70 | kJ/mol | 313.70 | NIST |
| ΔfusH | 47.70 | kJ/mol | 313.70 | NIST |
| ΔvapH | [84.70; 110.00] | kJ/mol | [298.15; 526.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 85 90 95 100 105 110 300 400 500 | ||||
| ΔvapH | 106.80 | kJ/mol | 298.15 | Vapor P... |
| ΔvapH | 110.00 ± 2.00 | kJ/mol | 382.50 | NIST |
| ΔvapH | 93.70 | kJ/mol | 406.50 | NIST |
| ΔvapH | 84.70 | kJ/mol | 415.00 | NIST |
| ΔvapH | 88.40 | kJ/mol | 526.00 | NIST |
| Pvap | [3.96e-04; 0.61] | kPa | [351.54; 461.96] |
|
|
T(K) Vapor pressure (kPa) 0 0.1 0.2 0.3 0.4 0.5 0.6 350 400 450 | ||||
| Pvap | 3.96e-04 | kPa | 351.54 | Experim... |
| Pvap | 9.71e-04 | kPa | 361.52 | Experim... |
| Pvap | 2.20e-03 | kPa | 371.42 | Experim... |
| Pvap | 4.98e-03 | kPa | 381.65 | Experim... |
| Pvap | 0.01 | kPa | 391.86 | Experim... |
| Pvap | 0.02 | kPa | 402.05 | Experim... |
| Pvap | 0.08 | kPa | 422.19 | Experim... |
| Pvap | 0.13 | kPa | 432.27 | Experim... |
| Pvap | 0.23 | kPa | 442.30 | Experim... |
| Pvap | 0.38 | kPa | 452.22 | Experim... |
| Pvap | 0.61 | kPa | 461.96 | Experim... |
| ΔfusS | [50.65; 152.06] | J/mol×K | [305.70; 313.70] |
|
| ΔfusS | 50.65 | J/mol×K | 305.70 | NIST |
| ΔfusS | 152.06 | J/mol×K | 313.70 | NIST |
| vspec | [0.00; 0.00] | m3/kg | [313.65; 566.35] |
|
|
T(K) Specific Volume (m3/kg) 1.30e-3 1.40e-3 1.50e-3 1.60e-3 400 500 | ||||
| vspec | 0.00 | m3/kg | 313.65 | A simpl... |
| vspec | 0.00 | m3/kg | 315.75 | A simpl... |
| vspec | 0.00 | m3/kg | 317.65 | A simpl... |
| vspec | 0.00 | m3/kg | 319.65 | A simpl... |
| vspec | 0.00 | m3/kg | 321.55 | A simpl... |
| vspec | 0.00 | m3/kg | 323.55 | A simpl... |
| vspec | 0.00 | m3/kg | 325.45 | A simpl... |
| vspec | 0.00 | m3/kg | 327.45 | A simpl... |
| vspec | 0.00 | m3/kg | 329.35 | A simpl... |
| vspec | 0.00 | m3/kg | 331.25 | A simpl... |
| vspec | 0.00 | m3/kg | 333.25 | A simpl... |
| vspec | 0.00 | m3/kg | 335.15 | A simpl... |
| vspec | 0.00 | m3/kg | 337.15 | A simpl... |
| vspec | 0.00 | m3/kg | 339.05 | A simpl... |
| vspec | 0.00 | m3/kg | 341.05 | A simpl... |
| vspec | 0.00 | m3/kg | 342.95 | A simpl... |
| vspec | 0.00 | m3/kg | 344.85 | A simpl... |
| vspec | 0.00 | m3/kg | 346.85 | A simpl... |
| vspec | 0.00 | m3/kg | 348.75 | A simpl... |
| vspec | 0.00 | m3/kg | 350.75 | A simpl... |
| vspec | 0.00 | m3/kg | 352.65 | A simpl... |
| vspec | 0.00 | m3/kg | 354.65 | A simpl... |
| vspec | 0.00 | m3/kg | 354.85 | A simpl... |
| vspec | 0.00 | m3/kg | 356.55 | A simpl... |
| vspec | 0.00 | m3/kg | 358.45 | A simpl... |
| vspec | 0.00 | m3/kg | 360.45 | A simpl... |
| vspec | 0.00 | m3/kg | 362.35 | A simpl... |
| vspec | 0.00 | m3/kg | 364.35 | A simpl... |
| vspec | 0.00 | m3/kg | 366.25 | A simpl... |
| vspec | 0.00 | m3/kg | 368.15 | A simpl... |
| vspec | 0.00 | m3/kg | 370.15 | A simpl... |
| vspec | 0.00 | m3/kg | 372.05 | A simpl... |
| vspec | 0.00 | m3/kg | 374.05 | A simpl... |
| vspec | 0.00 | m3/kg | 375.45 | A simpl... |
| vspec | 0.00 | m3/kg | 375.95 | A simpl... |
| vspec | 0.00 | m3/kg | 377.95 | A simpl... |
| vspec | 0.00 | m3/kg | 379.85 | A simpl... |
| vspec | 0.00 | m3/kg | 381.75 | A simpl... |
| vspec | 0.00 | m3/kg | 383.75 | A simpl... |
| vspec | 0.00 | m3/kg | 385.65 | A simpl... |
| vspec | 0.00 | m3/kg | 387.65 | A simpl... |
| vspec | 0.00 | m3/kg | 389.55 | A simpl... |
| vspec | 0.00 | m3/kg | 391.55 | A simpl... |
| vspec | 0.00 | m3/kg | 393.45 | A simpl... |
| vspec | 0.00 | m3/kg | 395.35 | A simpl... |
| vspec | 0.00 | m3/kg | 396.05 | A simpl... |
| vspec | 0.00 | m3/kg | 397.35 | A simpl... |
| vspec | 0.00 | m3/kg | 399.25 | A simpl... |
| vspec | 0.00 | m3/kg | 401.25 | A simpl... |
| vspec | 0.00 | m3/kg | 403.15 | A simpl... |
| vspec | 0.00 | m3/kg | 405.15 | A simpl... |
| vspec | 0.00 | m3/kg | 407.05 | A simpl... |
| vspec | 0.00 | m3/kg | 408.95 | A simpl... |
| vspec | 0.00 | m3/kg | 410.95 | A simpl... |
| vspec | 0.00 | m3/kg | 412.85 | A simpl... |
| vspec | 0.00 | m3/kg | 414.85 | A simpl... |
| vspec | 0.00 | m3/kg | 416.65 | A simpl... |
| vspec | 0.00 | m3/kg | 416.75 | A simpl... |
| vspec | 0.00 | m3/kg | 418.65 | A simpl... |
| vspec | 0.00 | m3/kg | 420.65 | A simpl... |
| vspec | 0.00 | m3/kg | 422.55 | A simpl... |
| vspec | 0.00 | m3/kg | 424.55 | A simpl... |
| vspec | 0.00 | m3/kg | 426.45 | A simpl... |
| vspec | 0.00 | m3/kg | 428.45 | A simpl... |
| vspec | 0.00 | m3/kg | 430.35 | A simpl... |
| vspec | 0.00 | m3/kg | 432.25 | A simpl... |
| vspec | 0.00 | m3/kg | 434.25 | A simpl... |
| vspec | 0.00 | m3/kg | 436.15 | A simpl... |
| vspec | 0.00 | m3/kg | 437.25 | A simpl... |
| vspec | 0.00 | m3/kg | 438.15 | A simpl... |
| vspec | 0.00 | m3/kg | 440.05 | A simpl... |
| vspec | 0.00 | m3/kg | 442.05 | A simpl... |
| vspec | 0.00 | m3/kg | 443.95 | A simpl... |
| vspec | 0.00 | m3/kg | 445.85 | A simpl... |
| vspec | 0.00 | m3/kg | 447.85 | A simpl... |
| vspec | 0.00 | m3/kg | 449.75 | A simpl... |
| vspec | 0.00 | m3/kg | 451.75 | A simpl... |
| vspec | 0.00 | m3/kg | 453.65 | A simpl... |
| vspec | 0.00 | m3/kg | 455.65 | A simpl... |
| vspec | 0.00 | m3/kg | 457.55 | A simpl... |
| vspec | 0.00 | m3/kg | 457.85 | A simpl... |
| vspec | 0.00 | m3/kg | 459.45 | A simpl... |
| vspec | 0.00 | m3/kg | 461.45 | A simpl... |
| vspec | 0.00 | m3/kg | 463.35 | A simpl... |
| vspec | 0.00 | m3/kg | 465.35 | A simpl... |
| vspec | 0.00 | m3/kg | 467.25 | A simpl... |
| vspec | 0.00 | m3/kg | 469.15 | A simpl... |
| vspec | 0.00 | m3/kg | 471.15 | A simpl... |
| vspec | 0.00 | m3/kg | 473.05 | A simpl... |
| vspec | 0.00 | m3/kg | 475.05 | A simpl... |
| vspec | 0.00 | m3/kg | 476.95 | A simpl... |
| vspec | 0.00 | m3/kg | 478.45 | A simpl... |
| vspec | 0.00 | m3/kg | 478.95 | A simpl... |
| vspec | 0.00 | m3/kg | 480.85 | A simpl... |
| vspec | 0.00 | m3/kg | 482.75 | A simpl... |
| vspec | 0.00 | m3/kg | 484.75 | A simpl... |
| vspec | 0.00 | m3/kg | 486.65 | A simpl... |
| vspec | 0.00 | m3/kg | 488.65 | A simpl... |
| vspec | 0.00 | m3/kg | 488.75 | A simpl... |
| vspec | 0.00 | m3/kg | 490.55 | A simpl... |
| vspec | 0.00 | m3/kg | 492.55 | A simpl... |
| vspec | 0.00 | m3/kg | 494.45 | A simpl... |
| vspec | 0.00 | m3/kg | 496.35 | A simpl... |
| vspec | 0.00 | m3/kg | 498.35 | A simpl... |
| vspec | 0.00 | m3/kg | 500.25 | A simpl... |
| vspec | 0.00 | m3/kg | 502.25 | A simpl... |
| vspec | 0.00 | m3/kg | 504.15 | A simpl... |
| vspec | 0.00 | m3/kg | 506.15 | A simpl... |
| vspec | 0.00 | m3/kg | 508.05 | A simpl... |
| vspec | 0.00 | m3/kg | 509.95 | A simpl... |
| vspec | 0.00 | m3/kg | 511.95 | A simpl... |
| vspec | 0.00 | m3/kg | 513.85 | A simpl... |
| vspec | 0.00 | m3/kg | 515.85 | A simpl... |
| vspec | 0.00 | m3/kg | 517.75 | A simpl... |
| vspec | 0.00 | m3/kg | 519.65 | A simpl... |
| vspec | 0.00 | m3/kg | 521.65 | A simpl... |
| vspec | 0.00 | m3/kg | 523.55 | A simpl... |
| vspec | 0.00 | m3/kg | 525.55 | A simpl... |
| vspec | 0.00 | m3/kg | 527.45 | A simpl... |
| vspec | 0.00 | m3/kg | 529.45 | A simpl... |
| vspec | 0.00 | m3/kg | 531.35 | A simpl... |
| vspec | 0.00 | m3/kg | 533.25 | A simpl... |
| vspec | 0.00 | m3/kg | 535.25 | A simpl... |
| vspec | 0.00 | m3/kg | 537.15 | A simpl... |
| vspec | 0.00 | m3/kg | 539.15 | A simpl... |
| vspec | 0.00 | m3/kg | 541.05 | A simpl... |
| vspec | 0.00 | m3/kg | 543.05 | A simpl... |
| vspec | 0.00 | m3/kg | 544.95 | A simpl... |
| vspec | 0.00 | m3/kg | 546.85 | A simpl... |
| vspec | 0.00 | m3/kg | 548.85 | A simpl... |
| vspec | 0.00 | m3/kg | 550.75 | A simpl... |
| vspec | 0.00 | m3/kg | 552.75 | A simpl... |
| vspec | 0.00 | m3/kg | 554.65 | A simpl... |
| vspec | 0.00 | m3/kg | 556.65 | A simpl... |
| vspec | 0.00 | m3/kg | 558.55 | A simpl... |
| vspec | 0.00 | m3/kg | 560.45 | A simpl... |
| vspec | 0.00 | m3/kg | 562.45 | A simpl... |
| vspec | 0.00 | m3/kg | 564.35 | A simpl... |
| vspec | 0.00 | m3/kg | 566.35 | A simpl... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.20 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.07; 102.66] | kPa | [422.15; 630.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.84438e+02 | |||
| Coefficient B | -2.48585e+04 | |||
| Coefficient C | -3.81807e+01 | |||
| Coefficient D | 1.44881e-05 | |||
| Temperature range, min. | 422.15 | |||
| Temperature range, max. | 630.15 | |||
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 450 500 550 600 | ||||
| Pvap | 0.07 | kPa | 422.15 | Calculated Property |
| Pvap | 0.25 | kPa | 445.26 | Calculated Property |
| Pvap | 0.79 | kPa | 468.37 | Calculated Property |
| Pvap | 2.09 | kPa | 491.48 | Calculated Property |
| Pvap | 4.91 | kPa | 514.59 | Calculated Property |
| Pvap | 10.41 | kPa | 537.71 | Calculated Property |
| Pvap | 20.26 | kPa | 560.82 | Calculated Property |
| Pvap | 36.76 | kPa | 583.93 | Calculated Property |
| Pvap | 62.92 | kPa | 607.04 | Calculated Property |
| Pvap | 102.66 | kPa | 630.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
- A simple method to determine the specific volumes of liquids and melts as a function of the temperature. Application to four n-alkanes (C16H34, C18H38, C19H40 and C21H44) under saturating vapour pressure in the 298-573K range
- Effect of nanopore confinement on the thermal and structural properties of heneicosan
- Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
- Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.