Chemical Properties of n-Pentadecanol (CAS 629-76-5)

n-Pentadecanol

InChI
InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChI Key
REIUXOLGHVXAEO-UHFFFAOYSA-N
Formula
C15H32O
SMILES
CCCCCCCCCCCCCCCO
Molecular Weight1
228.41
CAS
629-76-5
Other Names
  • 1-pentadecanol
  • N-PENTADECYL ALCOHOL
  • Neodol 5
  • Pentadecan-1-ol
  • n-1-Pentadecanol
  • pentadecanol
  • pentadecyl alcohol
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Physical Properties

Property Value Unit Source
ω [0.7507; 1.0150]   Show Hide
ω 0.8072 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.7507 ChemSep v8.3 pure component data Compiled value
ω 1.0150 KDB
ΔcH°solid -9817.70 kJ/mol NIST
μ 1.65 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -58.07 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -501.20 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°solid -658.30 ± 0.60 kJ/mol NIST
ΔfusH° [21.40; 103.50] kJ/mol Show Hide
ΔfusH° 21.40 kJ/mol Heat capacities and derived thermodynamic functions of 1-dodecanol and 1-tridecanol between 10 K and 370 K and heat capacities of 1-pentadecanol and 1-heptadecanol between 300 K and 380 K and correlationos for the heat capacity and the entropy of liquid n-alcohols
ΔfusH° 103.50 kJ/mol Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
ΔvapH° [102.50; 107.20] kJ/mol Show Hide
ΔvapH° 103.50 ± 3.30 kJ/mol NIST
ΔvapH° 102.50 kJ/mol NIST
ΔvapH° 107.20 kJ/mol NIST
IE 10.00 eV Relay (1.0) Calculated Property
log10WS [-6.35; -6.35]   Show Hide
log10WS -6.35 Aq. Solubility Prediction
log10WS -6.35 Estimated Solubility
logPoct/wat 5.070 Crippen Calculated Property
McVol 228.080 ml/mol McGowan Calculated Property
Pc [1520.00; 1599.92] kPa Show Hide
Pc 1599.92 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 1569.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 1520.00 kPa KDB
Ptriple 6.80e-05 kPa ChemSep v8.3 pure component data Compiled value
Inp [296.98; 1794.00]   Show Hide
Inp 1765.10 NIST
Inp 1777.00 NIST
Inp 1732.00 NIST
Inp 1776.00 NIST
Inp 1772.00 NIST
Inp 1791.00 NIST
Inp 1766.00 NIST
Inp 1768.00 NIST
Inp 1772.00 NIST
Inp 1775.00 NIST
Inp 1775.00 NIST
Inp 1778.00 NIST
Inp 1787.00 NIST
Inp 1788.90 NIST
Inp 1789.00 NIST
Inp 1765.00 NIST
Inp 1778.00 NIST
Inp 1774.00 NIST
Inp 1787.00 NIST
Inp 1749.00 NIST
Inp 1787.00 NIST
Inp 1775.00 NIST
Inp 1754.00 NIST
Inp 1773.00 NIST
Inp 1780.00 NIST
Inp 1778.00 NIST
Inp 1778.00 NIST
Inp 1761.00 NIST
Inp 1768.00 NIST
Inp 1792.00 NIST
Inp 1765.00 NIST
Inp 1766.00 NIST
Inp 1794.00 NIST
Inp 1794.00 NIST
Inp 1755.00 NIST
Inp 1789.00 NIST
Inp 1771.00 NIST
Inp 1774.00 NIST
Inp 1778.00 NIST
Inp 1789.00 NIST
Inp Outlier 296.98 NIST
Inp Outlier 298.56 NIST
Inp 1791.00 NIST
Inp 1765.10 NIST
Inp 1794.00 NIST
Inp 1774.00 NIST
Ip [2241.00; 2287.00]   Show Hide
Ip 2241.00 NIST
Ip 2278.00 NIST
Ip 2250.00 NIST
Ip 2254.00 NIST
Ip 2257.00 NIST
Ip 2272.00 NIST
Ip 2286.00 NIST
Ip 2243.00 NIST
Ip 2279.00 NIST
Ip 2287.00 NIST
Ip 2287.00 NIST
Ip 2254.00 NIST
Ip 2272.00 NIST
Tboil [578.00; 583.90] K Show Hide
Tboil 583.90 K ChemSep v8.3 pure component data Compiled value
Tboil 578.00 K KDB
Tc [722.50; 757.30] K Show Hide
Tc 757.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 757.30 K ChemSep v8.3 pure component data Compiled value
Tc 722.50 K KDB
Tfus [311.70; 319.15] K Show Hide
Tfus 319.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 317.05 K ChemSep v8.3 pure component data Compiled value
Tfus 317.00 K KDB
Tfus 318.98 K Aq. Solubility Prediction
Tfus 317.65 ± 0.40 K NIST
Tfus Outlier 311.70 ± 2.00 K NIST
Tfus 316.92 ± 0.05 K NIST
Tfus 316.61 ± 0.05 K NIST
Tfus 316.92 ± 0.05 K NIST
Tfus 316.61 ± 0.05 K NIST
Ttriple 317.05 K ChemSep v8.3 pure component data Compiled value
UQi 9.61 ChemSep v8.3 pure component data Compiled value
URi 11.34 ChemSep v8.3 pure component data Compiled value
Vc [0.882; 1.010] m3/kmol Show Hide
Vc 0.882 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 1.010 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.894 m3/kmol KDB
Zc [0.2263340; 0.2510000]   Show Hide
Zc 0.2510000 ChemSep v8.3 pure component data Compiled value
Zc 0.2263340 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 567.40 J/mol×K 323.15 NIST
Cp,solid [400.00; 537.30] J/mol×K [298.15; 358.00] Show Hide
Cp,solid 400.00 J/mol×K 298.15 NIST
Cp,solid 535.00 J/mol×K 318.00 NIST
Cp,solid 537.30 J/mol×K 358.00 NIST
ΔfusH [23.64; 54.73] kJ/mol [316.00; 316.90] Show Hide
ΔfusH 23.64 kJ/mol 316.00 NIST
ΔfusH 29.60 kJ/mol 316.40 NIST
ΔfusH 54.73 kJ/mol 316.60 NIST
ΔfusH 54.73 kJ/mol 316.60 NIST
ΔfusH 54.73 kJ/mol 316.60 NIST
ΔfusH 53.62 kJ/mol 316.90 NIST
ΔvapH [72.40; 95.50] kJ/mol [338.50; 519.00] Show Hide
ΔvapH 95.50 kJ/mol 338.50 NIST
ΔvapH 92.40 kJ/mol 368.00 NIST
ΔvapH 72.40 kJ/mol 518.50 NIST
ΔvapH 75.00 kJ/mol 519.00 NIST
ΔfusS [74.81; 172.86] J/mol×K [316.00; 316.60] Show Hide
ΔfusS 74.81 J/mol×K 316.00 NIST
ΔfusS 172.86 J/mol×K 316.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [356.57; 902.85] J/mol×K [298.15; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))²
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.49400e+02
Coefficient B7.74000e+02
Coefficient C1.56400e+03
Coefficient D5.80500e+02
Coefficient E7.24100e+02
Temperature range, min.298.15
Temperature range, max.1500.00
Cp,gas 356.57 J/mol×K 298.15 Calculated Property
Cp,gas 491.41 J/mol×K 431.69 Calculated Property
Cp,gas 597.14 J/mol×K 565.23 Calculated Property
Cp,gas 677.48 J/mol×K 698.77 Calculated Property
Cp,gas 739.95 J/mol×K 832.31 Calculated Property
Cp,gas 789.03 J/mol×K 965.84 Calculated Property
Cp,gas 827.76 J/mol×K 1099.38 Calculated Property
Cp,gas 858.49 J/mol×K 1232.92 Calculated Property
Cp,gas 883.05 J/mol×K 1366.46 Calculated Property
Cp,gas 902.85 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [562.98; 730.08] J/mol×K [317.05; 583.90] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,liquid in J/mol×K, T in K
Coefficient A-1.79690e+03
Coefficient B1.50530e+01
Coefficient C-3.06950e-02
Coefficient D2.11110e-05
Coefficient E0.00000e+00
Temperature range, min.317.05
Temperature range, max.583.90
Cp,liquid 562.98 J/mol×K 317.05 Calculated Property
Cp,liquid 612.18 J/mol×K 346.70 Calculated Property
Cp,liquid 646.02 J/mol×K 376.35 Calculated Property
Cp,liquid 667.80 J/mol×K 406.00 Calculated Property
Cp,liquid 680.82 J/mol×K 435.65 Calculated Property
Cp,liquid 688.38 J/mol×K 465.30 Calculated Property
Cp,liquid 693.78 J/mol×K 494.95 Calculated Property
Cp,liquid 700.33 J/mol×K 524.60 Calculated Property
Cp,liquid 711.33 J/mol×K 554.25 Calculated Property
Cp,liquid 730.08 J/mol×K 583.90 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0126674; 0.0002360] Pa×s [317.05; 583.90] 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-7.08900e+01
Coefficient B6.21470e+03
Coefficient C8.14710e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.317.05
Temperature range, max.583.90
η 0.0126674 Pa×s 317.05 Calculated Property
η 0.0049088 Pa×s 346.70 Calculated Property
η 0.0023335 Pa×s 376.35 Calculated Property
η 0.0012960 Pa×s 406.00 Calculated Property
η 0.0008120 Pa×s 435.65 Calculated Property
η 0.0005594 Pa×s 465.30 Calculated Property
η 0.0004157 Pa×s 494.95 Calculated Property
η 0.0003284 Pa×s 524.60 Calculated Property
η 0.0002728 Pa×s 554.25 Calculated Property
η 0.0002360 Pa×s 583.90 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [99.73; 0.00] kJ/mol [317.05; 757.30] 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 A1.00600e+02
Coefficient B-1.36400e+00
Coefficient C4.47600e+00
Coefficient D-2.81800e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)7.57300e+02
Temperature range, min.317.05
Temperature range, max.757.30
ΔvapH 99.73 kJ/mol 317.05 Calculated Property
ΔvapH 91.66 kJ/mol 365.97 Calculated Property
ΔvapH 82.99 kJ/mol 414.88 Calculated Property
ΔvapH 74.26 kJ/mol 463.80 Calculated Property
ΔvapH 65.87 kJ/mol 512.72 Calculated Property
ΔvapH 58.10 kJ/mol 561.63 Calculated Property
ΔvapH 51.08 kJ/mol 610.55 Calculated Property
ΔvapH 44.66 kJ/mol 659.47 Calculated Property
ΔvapH 37.81 kJ/mol 708.38 Calculated Property
ΔvapH 0.00 kJ/mol 757.30 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [453.72; 600.57] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.72985e+01
Coefficient B-5.96038e+03
Coefficient C-1.03335e+02
Temperature range, min.453.72
Temperature range, max.600.57
Pvap 1.33 kPa 453.72 Calculated Property
Pvap 2.84 kPa 470.04 Calculated Property
Pvap 5.68 kPa 486.35 Calculated Property
Pvap 10.73 kPa 502.67 Calculated Property
Pvap 19.27 kPa 518.99 Calculated Property
Pvap 33.13 kPa 535.30 Calculated Property
Pvap 54.74 kPa 551.62 Calculated Property
Pvap 87.32 kPa 567.94 Calculated Property
Pvap 134.94 kPa 584.25 Calculated Property
Pvap 202.65 kPa 600.57 Calculated Property
Pvap [6.82e-05; 1573.23] kPa [317.05; 757.30] 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 A1.78202e+02
Coefficient B-1.90680e+04
Coefficient C-2.21670e+01
Coefficient D6.88890e-18
Coefficient E6.00000e+00
Temperature range, min.317.05
Temperature range, max.757.30
Pvap 6.82e-05 kPa 317.05 Calculated Property
Pvap 8.86e-03 kPa 365.97 Calculated Property
Pvap 0.26 kPa 414.88 Calculated Property
Pvap 2.90 kPa 463.80 Calculated Property
Pvap 16.80 kPa 512.72 Calculated Property
Pvap 62.27 kPa 561.63 Calculated Property
Pvap 170.91 kPa 610.55 Calculated Property
Pvap 387.24 kPa 659.47 Calculated Property
Pvap 791.08 kPa 708.38 Calculated Property
Pvap 1573.23 kPa 757.30 Calculated Property
Pvap [0.93; 143.64] kPa [438.15; 600.15] 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 A2.55623e+02
Coefficient B-2.20313e+04
Coefficient C-3.41892e+01
Coefficient D1.32387e-05
Coefficient E0.00000e+00
Temperature range, min.438.15
Temperature range, max.600.15
Pvap 0.93 kPa 438.15 Calculated Property
Pvap 2.11 kPa 456.15 Calculated Property
Pvap 4.38 kPa 474.15 Calculated Property
Pvap 8.44 kPa 492.15 Calculated Property
Pvap 15.23 kPa 510.15 Calculated Property
Pvap 25.96 kPa 528.15 Calculated Property
Pvap 42.17 kPa 546.15 Calculated Property
Pvap 65.68 kPa 564.15 Calculated Property
Pvap 98.65 kPa 582.15 Calculated Property
Pvap 143.64 kPa 600.15 Calculated Property
Property Value Unit Temperature (K) Source
ρl [823.34; 239.98] kg/m3 [317.05; 757.30] 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 A5.68751e+01
Coefficient B2.37000e-01
Coefficient C7.57300e+02
Coefficient D2.86000e-01
Temperature range, min.317.05
Temperature range, max.757.30
ρl 823.34 kg/m3 317.05 Calculated Property
ρl 790.39 kg/m3 365.97 Calculated Property
ρl 755.87 kg/m3 414.88 Calculated Property
ρl 719.38 kg/m3 463.80 Calculated Property
ρl 680.35 kg/m3 512.72 Calculated Property
ρl 637.90 kg/m3 561.63 Calculated Property
ρl 590.50 kg/m3 610.55 Calculated Property
ρl 535.06 kg/m3 659.47 Calculated Property
ρl 463.21 kg/m3 708.38 Calculated Property
ρl 239.98 kg/m3 757.30 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.00] N/m [317.05; 757.30] 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 γ in N/m, T in K
Coefficient A6.90000e-02
Coefficient B1.79300e+00
Coefficient C-5.34000e-01
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)7.57300e+02
Temperature range, min.317.05
Temperature range, max.757.30
γ 0.03 N/m 317.05 Calculated Property
γ 0.03 N/m 365.97 Calculated Property
γ 0.02 N/m 414.88 Calculated Property
γ 0.02 N/m 463.80 Calculated Property
γ 0.01 N/m 512.72 Calculated Property
γ 0.01 N/m 561.63 Calculated Property
γ 0.01 N/m 610.55 Calculated Property
γ 0.00 N/m 659.47 Calculated Property
γ 0.00 N/m 708.38 Calculated Property
γ 0.00 N/m 757.30 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.03; 0.08] W/m×K [583.90; 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-2.70700e+00
Coefficient B-2.80240e-02
Coefficient C-1.92660e+03
Coefficient D-2.76990e+07
Temperature range, min.583.90
Temperature range, max.1000.00
λgas 0.03 W/m×K 583.90 Calculated Property
λgas 0.03 W/m×K 630.13 Calculated Property
λgas 0.04 W/m×K 676.37 Calculated Property
λgas 0.04 W/m×K 722.60 Calculated Property
λgas 0.05 W/m×K 768.83 Calculated Property
λgas 0.05 W/m×K 815.07 Calculated Property
λgas 0.06 W/m×K 861.30 Calculated Property
λgas 0.06 W/m×K 907.53 Calculated Property
λgas 0.07 W/m×K 953.77 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.16; 0.10] W/m×K [317.05; 583.90] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is λliquid in W/m×K, T in K
Coefficient A2.29330e-01
Coefficient B-2.22710e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.317.05
Temperature range, max.583.90
λliquid 0.16 W/m×K 317.05 Calculated Property
λliquid 0.15 W/m×K 346.70 Calculated Property
λliquid 0.15 W/m×K 376.35 Calculated Property
λliquid 0.14 W/m×K 406.00 Calculated Property
λliquid 0.13 W/m×K 435.65 Calculated Property
λliquid 0.13 W/m×K 465.30 Calculated Property
λliquid 0.12 W/m×K 494.95 Calculated Property
λliquid 0.11 W/m×K 524.60 Calculated Property
λliquid 0.11 W/m×K 554.25 Calculated Property
λliquid 0.10 W/m×K 583.90 Calculated Property

Similar Compounds

1-Eicosanol. 1-Octadecanol. 1-Hexacosanol. 1-Decanol. 1-Undecanol. 1-Heptacosanol. 1-Hentetracontanol. 1-Hexadecanol. 1-Tetracosanol. n-Heptadecanol-1. Octacosanol. 1-Octanol. 1-Nonanol. n-Nonadecanol-1. 1-Tetradecanol.

Find more compounds similar to n-Pentadecanol.

Sources

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