Chemical Properties of Pentacosane (CAS 629-99-2)

Pentacosane

InChI
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChI Key
YKNWIILGEFFOPE-UHFFFAOYSA-N
Formula
C25H52
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC
Molecular Weight1
352.68
CAS
629-99-2
Other Names
  • n-pentacosane
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Physical Properties

Property Value Unit Source
ω 1.1053 ChemSep v8.3 pure component data Compiled value
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 155.30 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -560.70 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 55.53 kJ/mol Solid liquid equilibria and purity determination for binary n-alkane + naphthalene systems
ΔsubH° 174.00 ± 10.00 kJ/mol NIST
ΔvapH° [126.80; 129.80] kJ/mol Show Hide
ΔvapH° 126.80 kJ/mol NIST
ΔvapH° 128.60 ± 2.20 kJ/mol NIST
ΔvapH° 127.60 ± 0.80 kJ/mol NIST
ΔvapH° 129.80 ± 2.90 kJ/mol NIST
IE 10.06 eV Relay (1.0) Calculated Property
log10WS -10.04 Relay (1.0) Calculated Property
logPoct/wat 9.998 Crippen Calculated Property
McVol 363.110 ml/mol McGowan Calculated Property
Pc 950.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 7.99e-07 kPa ChemSep v8.3 pure component data Compiled value
Inp [394.59; 402.21]   Show Hide
Inp 394.59 NIST
Inp 402.21 NIST
S°solid,1 bar 671.10 J/mol×K NIST
Tboil [675.05; 675.10] K Show Hide
Tboil 675.05 K ChemSep v8.3 pure component data Compiled value
Tboil 675.10 K NIST
Tc 812.00 K ChemSep v8.3 pure component data Compiled value
Tfus [325.50; 328.90] K Show Hide
Tfus 326.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 327.90 K ChemSep v8.3 pure component data Compiled value
Tfus 326.65 K KDB
Tfus 327.20 ± 0.40 K NIST
Tfus 326.00 ± 0.10 K NIST
Tfus 326.70 ± 0.30 K NIST
Tfus 326.15 ± 2.00 K NIST
Tfus 327.65 ± 2.00 K NIST
Tfus 326.50 ± 0.60 K NIST
Tfus 326.15 ± 3.00 K NIST
Tfus 326.60 ± 0.20 K NIST
Tfus 326.50 ± 0.60 K NIST
Tfus 326.50 ± 0.50 K NIST
Tfus 325.50 ± 3.00 K NIST
Tfus 325.50 ± 2.00 K NIST
Tfus 326.90 ± 2.00 K NIST
Tfus Outlier 328.90 ± 1.00 K NIST
Tfus 327.10 ± 1.00 K NIST
Tfus 327.00 ± 3.00 K NIST
Ttriple 326.65 K ChemSep v8.3 pure component data Compiled value
UQi 14.12 ChemSep v8.3 pure component data Compiled value
URi 17.31 ChemSep v8.3 pure component data Compiled value
Vc 1.460 m3/kmol ChemSep v8.3 pure component data Compiled value
VCOSTALD 1.79 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 1.00 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc 0.2054400 ChemSep v8.3 pure component data Compiled value
Zra 0.23 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [812.00; 861.00] J/mol×K [330.00; 370.00] Show Hide
Cp,liquid 812.00 J/mol×K 330.00 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 815.90 J/mol×K 333.00 NIST
Cp,liquid 824.00 J/mol×K 340.00 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 836.00 J/mol×K 350.00 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 849.00 J/mol×K 360.00 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 861.00 J/mol×K 370.00 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,solid 769.00 J/mol×K 294.50 NIST
ΔfusH [26.07; 79.39] kJ/mol [320.20; 326.70] Show Hide
ΔfusH 26.07 kJ/mol 320.20 NIST
ΔfusH 55.53 kJ/mol 325.90 NIST
ΔfusH 57.80 kJ/mol 326.40 NIST
ΔfusH 79.39 kJ/mol 326.60 NIST
ΔfusH 57.74 kJ/mol 326.70 NIST
ΔfusH 57.74 kJ/mol 326.70 NIST
ΔvapH [90.90; 126.80] kJ/mol [298.00; 566.00] Show Hide
ΔvapH 119.10 kJ/mol 298.00 A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
ΔvapH 126.80 kJ/mol 298.15 Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH 126.00 ± 1.00 kJ/mol 415.50 NIST
ΔvapH 106.60 kJ/mol 422.00 NIST
ΔvapH 97.60 kJ/mol 460.50 NIST
ΔvapH 90.90 ± 5.70 kJ/mol 479.50 NIST
ΔvapH 99.20 kJ/mol 566.00 NIST
Pvap [3.31e-04; 0.09] kPa [381.69; 461.98] Show Hide
Pvap 3.31e-04 kPa 381.69 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 7.83e-04 kPa 391.91 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 1.78e-03 kPa 402.03 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 3.83e-03 kPa 411.75 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 3.83e-03 kPa 411.78 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 8.02e-03 kPa 422.02 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.02 kPa 432.21 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.03 kPa 442.33 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.03 kPa 442.34 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.05 kPa 452.24 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.05 kPa 452.25 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.09 kPa 461.95 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.09 kPa 461.98 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap 0.09 kPa 461.98 Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
ΔfusS [81.42; 243.10] J/mol×K [320.20; 326.70] Show Hide
ΔfusS 81.42 J/mol×K 320.20 NIST
ΔfusS 243.10 J/mol×K 326.60 NIST
ΔfusS 176.76 J/mol×K 326.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [537.50; 1518.96] J/mol×K [273.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.30530e+02
Coefficient B-5.66250e+02
Coefficient C7.37524e+00
Coefficient D1.28740e-04
Coefficient E-4.90960e-08
Temperature range, min.273.00
Temperature range, max.1500.00
Cp,gas 537.50 J/mol×K 273.00 Calculated Property
Cp,gas 748.90 J/mol×K 409.33 Calculated Property
Cp,gas 928.27 J/mol×K 545.67 Calculated Property
Cp,gas 1072.96 J/mol×K 682.00 Calculated Property
Cp,gas 1189.53 J/mol×K 818.33 Calculated Property
Cp,gas 1284.15 J/mol×K 954.67 Calculated Property
Cp,gas 1361.49 J/mol×K 1091.00 Calculated Property
Cp,gas 1424.90 J/mol×K 1227.33 Calculated Property
Cp,gas 1476.80 J/mol×K 1363.67 Calculated Property
Cp,gas 1518.96 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [802.95; 1308.48] J/mol×K [320.00; 750.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A5.28340e+02
Coefficient B-1.26870e+02
Coefficient C5.16724e+00
Coefficient D2.95500e-03
Coefficient E-9.86420e-07
Temperature range, min.320.00
Temperature range, max.750.00
Cp,liquid 802.95 J/mol×K 320.00 Calculated Property
Cp,liquid 850.69 J/mol×K 367.78 Calculated Property
Cp,liquid 900.59 J/mol×K 415.56 Calculated Property
Cp,liquid 952.80 J/mol×K 463.33 Calculated Property
Cp,liquid 1007.32 J/mol×K 511.11 Calculated Property
Cp,liquid 1064.08 J/mol×K 558.89 Calculated Property
Cp,liquid 1122.87 J/mol×K 606.67 Calculated Property
Cp,liquid 1183.44 J/mol×K 654.44 Calculated Property
Cp,liquid 1245.45 J/mol×K 702.22 Calculated Property
Cp,liquid 1308.48 J/mol×K 750.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0050525; 0.0001711] Pa×s [326.65; 730.80] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-9.80400e+00
Coefficient B1.97180e+03
Coefficient C-2.69980e-01
Coefficient D3.99140e-07
Coefficient E2.00000e+00
Temperature range, min.326.65
Temperature range, max.730.80
η 0.0050525 Pa×s 326.65 Calculated Property
η 0.0023823 Pa×s 371.56 Calculated Property
η 0.0013220 Pa×s 416.46 Calculated Property
η 0.0008240 Pa×s 461.37 Calculated Property
η 0.0005597 Pa×s 506.27 Calculated Property
η 0.0004059 Pa×s 551.18 Calculated Property
η 0.0003098 Pa×s 596.08 Calculated Property
η 0.0002464 Pa×s 640.99 Calculated Property
η 0.0002025 Pa×s 685.89 Calculated Property
η 0.0001711 Pa×s 730.80 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [114.53; 0.00] kJ/mol [326.65; 812.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A1.92880e+02
Coefficient B1.89370e+00
Coefficient C-3.47120e+00
Coefficient D3.96360e+00
Coefficient E-1.93440e+00
Critical temperature, Tc (K)8.12000e+02
Temperature range, min.326.65
Temperature range, max.812.00
ΔvapH 114.53 kJ/mol 326.65 Calculated Property
ΔvapH 106.56 kJ/mol 380.58 Calculated Property
ΔvapH 98.70 kJ/mol 434.51 Calculated Property
ΔvapH 90.80 kJ/mol 488.43 Calculated Property
ΔvapH 82.80 kJ/mol 542.36 Calculated Property
ΔvapH 74.66 kJ/mol 596.29 Calculated Property
ΔvapH 66.25 kJ/mol 650.22 Calculated Property
ΔvapH 57.13 kJ/mol 704.14 Calculated Property
ΔvapH 45.37 kJ/mol 758.07 Calculated Property
ΔvapH 0.00 kJ/mol 812.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [2.85e-06; 296.41] kPa [326.65; 812.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A-2.10158e+02
Coefficient B-1.09506e+03
Coefficient C3.51974e+01
Coefficient D-2.82197e-05
Coefficient E2.00000e+00
Temperature range, min.326.65
Temperature range, max.812.00
Pvap 2.85e-06 kPa 326.65 Calculated Property
Pvap 3.39e-04 kPa 380.58 Calculated Property
Pvap 0.01 kPa 434.51 Calculated Property
Pvap 0.30 kPa 488.43 Calculated Property
Pvap 3.07 kPa 542.36 Calculated Property
Pvap 18.33 kPa 596.29 Calculated Property
Pvap 67.44 kPa 650.22 Calculated Property
Pvap 161.35 kPa 704.14 Calculated Property
Pvap 261.48 kPa 758.07 Calculated Property
Pvap 296.41 kPa 812.00 Calculated Property
Pvap [2.09e-05; 42.74] kPa [355.15; 675.15] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A5.22396e+02
Coefficient B-3.82614e+04
Coefficient C-7.31253e+01
Coefficient D3.16722e-05
Coefficient E0.00000e+00
Temperature range, min.355.15
Temperature range, max.675.15
Pvap 2.09e-05 kPa 355.15 Calculated Property
Pvap 8.19e-04 kPa 390.71 Calculated Property
Pvap 0.01 kPa 426.26 Calculated Property
Pvap 0.10 kPa 461.82 Calculated Property
Pvap 0.47 kPa 497.37 Calculated Property
Pvap 1.63 kPa 532.93 Calculated Property
Pvap 4.46 kPa 568.48 Calculated Property
Pvap 10.39 kPa 604.04 Calculated Property
Pvap 21.77 kPa 639.59 Calculated Property
Pvap 42.74 kPa 675.15 Calculated Property
Pvap [0.13; 100.01] kPa [467.40; 663.40] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.99190e+01
Coefficient B-9.94092e+03
Coefficient C-1.42520e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.467.40
Temperature range, max.663.40
Pvap 0.13 kPa 467.40 Calculated Property
Pvap 0.36 kPa 489.18 Calculated Property
Pvap 0.91 kPa 510.96 Calculated Property
Pvap 2.11 kPa 532.73 Calculated Property
Pvap 4.57 kPa 554.51 Calculated Property
Pvap 9.32 kPa 576.29 Calculated Property
Pvap 18.02 kPa 598.07 Calculated Property
Pvap 33.24 kPa 619.84 Calculated Property
Pvap 58.77 kPa 641.62 Calculated Property
Pvap 100.01 kPa 663.40 Calculated Property
Property Value Unit Temperature (K) Source
ρl [800.25; 290.64] kg/m3 [293.15; 812.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A2.23603e-01
Coefficient B1.53880e-02
Coefficient C8.36310e+02
Coefficient D9.37520e-02
Temperature range, min.293.15
Temperature range, max.812.00
ρl 800.25 kg/m3 293.15 Calculated Property
ρl 767.38 kg/m3 350.80 Calculated Property
ρl 732.34 kg/m3 408.45 Calculated Property
ρl 694.66 kg/m3 466.10 Calculated Property
ρl 653.62 kg/m3 523.75 Calculated Property
ρl 608.18 kg/m3 581.40 Calculated Property
ρl 556.56 kg/m3 639.05 Calculated Property
ρl 495.48 kg/m3 696.70 Calculated Property
ρl 417.23 kg/m3 754.35 Calculated Property
ρl 290.64 kg/m3 812.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 3.69e-04] N/m [326.65; 812.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-2.81790e-02
Coefficient B-8.52910e+01
Coefficient C-1.85550e+00
Coefficient D-2.60560e-03
Coefficient E7.88840e-07
Temperature range, min.326.65
Temperature range, max.812.00
γ 0.03 N/m 326.65 Calculated Property
γ 0.02 N/m 380.58 Calculated Property
γ 0.02 N/m 434.51 Calculated Property
γ 0.02 N/m 488.43 Calculated Property
γ 0.01 N/m 542.36 Calculated Property
γ 0.01 N/m 596.29 Calculated Property
γ 0.01 N/m 650.22 Calculated Property
γ 0.00 N/m 704.14 Calculated Property
γ 0.00 N/m 758.07 Calculated Property
γ 3.69e-04 N/m 812.00 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.06] W/m×K [326.65; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A-2.66990e+02
Coefficient B1.06060e+00
Coefficient C-6.49610e+09
Coefficient D-1.21670e+11
Temperature range, min.326.65
Temperature range, max.1000.00
λgas 0.01 W/m×K 326.65 Calculated Property
λgas 0.01 W/m×K 401.47 Calculated Property
λgas 0.01 W/m×K 476.28 Calculated Property
λgas 0.02 W/m×K 551.10 Calculated Property
λgas 0.02 W/m×K 625.92 Calculated Property
λgas 0.03 W/m×K 700.73 Calculated Property
λgas 0.04 W/m×K 775.55 Calculated Property
λgas 0.04 W/m×K 850.37 Calculated Property
λgas 0.05 W/m×K 925.18 Calculated Property
λgas 0.06 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.15; 0.08] W/m×K [326.65; 675.05] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A5.83430e-03
Coefficient B-2.03860e+02
Coefficient C-3.74320e-01
Coefficient D-2.97920e-03
Coefficient E2.47730e-07
Temperature range, min.326.65
Temperature range, max.675.05
λliquid 0.15 W/m×K 326.65 Calculated Property
λliquid 0.14 W/m×K 365.36 Calculated Property
λliquid 0.14 W/m×K 404.07 Calculated Property
λliquid 0.13 W/m×K 442.78 Calculated Property
λliquid 0.12 W/m×K 481.49 Calculated Property
λliquid 0.11 W/m×K 520.21 Calculated Property
λliquid 0.10 W/m×K 558.92 Calculated Property
λliquid 0.10 W/m×K 597.63 Calculated Property
λliquid 0.09 W/m×K 636.34 Calculated Property
λliquid 0.08 W/m×K 675.05 Calculated Property

Similar Compounds

Triacontane. hexahexacontane. Heptadecane. Octane. pentacontane. Tetrapentacontane. Decane. Tridecane. heptapentacontane. heptacontane. Tetradecane. Dotriacontane. Pentadecane. Tetranonacontane. Heptacosane.

Find more compounds similar to Pentacosane.

Mixtures

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