Chemical Properties of 2-Octanol (CAS 123-96-6)

2-Octanol

InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChI Key
SJWFXCIHNDVPSH-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCCC(C)O
Molecular Weight1
130.23
CAS
123-96-6
Other Names
  • 1-Methyl-1-heptanol
  • 1-Methylheptanol
  • 1-Methylheptyl alcohol
  • 2-Hydroxy-n-octane
  • 2-Hydroxyoctane
  • 2-Octanol, (.+/-.)-
  • 2-octyl alcohol
  • Capryl alcohol
  • Hexylmethylcarbinol
  • Methylhexylcarbinol
  • NSC 14759
  • Octanol-2
  • methyl hexyl carbinol
  • methylheptanol
  • n-Octan-2-ol
  • octan-2-ol
  • s-Octyl alcohol
  • sec-caprylic alcohol
  • sec-octyl alcohol
  • «beta»-Octyl alcohol
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Physical Properties

Property Value Unit Source
ω 0.5200 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Cp,liquid 326.87 J/mol×K Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
μ 1.60 debye KDB
η 0.0065680 Pa×s Speeds of sound, isentropic compressibilities, viscosities and excess molar volumes of binary mixtures of methylcyclohexane + 2-alkanols or ethanol at T = 298.15 K
εr 8.17 NCMS SOLV-DB
Tflash,cc 347.15 K NCMS SOLV-DB
ΔfG° -122.78 kJ/mol Joback Calculated Property
ΔfH°gas -391.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.04 kJ/mol Joback Calculated Property
ΔvapH° [44.35; 67.90] kJ/mol Show Hide
ΔvapH° 44.35 kJ/mol NCMS SOLV-DB
ΔvapH° 67.90 ± 0.30 kJ/mol NIST
IE 9.81 eV Relay (1.0) Calculated Property
log10WS [-2.09; -2.09]   Show Hide
log10WS -2.09 Aq. Solubility Prediction
log10WS -2.09 Estimated Solubility
logPoct/wat 2.730 NCMS SOLV-DB
McVol 129.450 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc [2727.00; 2900.00] kPa Show Hide
Pc 2754.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Pc 2735.78 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2900.00 kPa KDB
Pc 2750.00 ± 50.00 kPa NIST
Pc 2780.00 ± 50.00 kPa NIST
Pc 2900.00 ± 200.00 kPa NIST
Pc 2727.00 ± 0.02 kPa NIST
Pc 2727.00 ± 20.00 kPa NIST
ρc [251.34; 251.34] kg/m3 Show Hide
ρc 251.34 ± 6.51 kg/m3 NIST
ρc 251.34 ± 6.51 kg/m3 NIST
Inp [161.85; 1018.00]   Show Hide
Inp 977.00 NIST
Inp 976.70 NIST
Inp 966.00 NIST
Inp 979.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 997.00 NIST
Inp 1009.00 NIST
Inp 1011.00 NIST
Inp 1012.00 NIST
Inp 1014.00 NIST
Inp 962.00 NIST
Inp 998.00 NIST
Inp 985.00 NIST
Inp 997.00 NIST
Inp 995.00 NIST
Inp 1002.00 NIST
Inp 1002.00 NIST
Inp 1002.00 NIST
Inp 1004.00 NIST
Inp 998.00 NIST
Inp 990.00 NIST
Inp 1002.00 NIST
Inp 1010.00 NIST
Inp 995.00 NIST
Inp 984.00 NIST
Inp 990.00 NIST
Inp 992.00 NIST
Inp 987.00 NIST
Inp 988.00 NIST
Inp 983.00 NIST
Inp 982.00 NIST
Inp 988.00 NIST
Inp 994.00 NIST
Inp 1002.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 1013.00 NIST
Inp 1011.00 NIST
Inp 1003.00 NIST
Inp 982.00 NIST
Inp 1004.00 NIST
Inp 983.00 NIST
Inp 1018.00 NIST
Inp 984.00 NIST
Inp 984.00 NIST
Inp Outlier 161.85 NIST
Inp 1012.00 NIST
Inp Outlier 161.85 NIST
Inp 995.00 NIST
Inp 998.00 NIST
Inp 984.00 NIST
Inp 983.00 NIST
Ip [1380.00; 1430.00]   Show Hide
Ip 1385.00 NIST
Ip 1385.00 NIST
Ip 1411.00 NIST
Ip 1384.00 NIST
Ip 1405.00 NIST
Ip 1422.00 NIST
Ip 1423.00 NIST
Ip 1430.00 NIST
Ip 1420.00 NIST
Ip 1416.00 NIST
Ip 1398.00 NIST
Ip 1394.00 NIST
Ip 1412.00 NIST
Ip 1421.00 NIST
Ip 1421.00 NIST
Ip 1430.00 NIST
Ip 1409.00 NIST
Ip 1412.00 NIST
Ip 1399.00 NIST
Ip 1418.00 NIST
Ip 1421.00 NIST
Ip 1380.00 NIST
Ip 1385.00 NIST
Ip 1396.00 NIST
Ip 1421.00 NIST
Ip 1430.00 NIST
Ip 1398.00 NIST
Ip 1398.00 NIST
Ip 1390.00 NIST
Ip 1384.00 NIST
Ip 1422.00 NIST
Ip 1418.00 NIST
Tboil [450.70; 453.55] K Show Hide
Tboil 453.03 K KDB
Tboil 452.95 K NCMS SOLV-DB
Tboil Outlier 450.70 K NIST
Tboil 453.20 K NIST
Tboil 453.55 ± 0.40 K NIST
Tboil 453.05 ± 2.50 K NIST
Tboil 453.55 ± 0.20 K NIST
Tboil 452.20 ± 0.50 K NIST
Tboil 452.20 ± 0.50 K NIST
Tboil 452.20 ± 0.50 K NIST
Tboil 452.15 ± 0.40 K NIST
Tc [629.00; 638.00] K Show Hide
Tc 629.60 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Tc 637.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 629.60 K KDB
Tc 629.60 ± 0.50 K NIST
Tc 630.20 ± 0.80 K NIST
Tc 638.00 ± 3.00 K NIST
Tc 629.00 ± 0.60 K NIST
Tc 629.00 ± 0.60 K NIST
Tc 629.40 K NIST
Tc 629.70 ± 0.30 K NIST
Tc 637.30 K NIST
Tfus [241.00; 241.35] K Show Hide
Tfus 241.35 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 241.00 K KDB
Tfus 241.35 K Aq. Solubility Prediction
Tfus 241.15 K NCMS SOLV-DB
Vc [0.494; 0.519] m3/kmol Show Hide
Vc 0.519 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Vc 0.494 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.519 m3/kmol KDB
Vc 0.519 m3/kmol NIST
Zc [0.2730000; 0.2875170]   Show Hide
Zc 0.2730000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Zc 0.2875170 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 330.10 J/mol×K 298.50 NIST
η 0.0064900 Pa×s 298.15 NCMS SOLV-DB
ΔvapH [56.10; 70.70] kJ/mol [303.00; 410.00] Show Hide
ΔvapH 70.70 kJ/mol 303.00 NIST
ΔvapH 60.70 kJ/mol 393.00 NIST
ΔvapH 60.00 kJ/mol 399.00 NIST
ΔvapH 56.10 kJ/mol 410.00 NIST
Pvap 0.11 kPa 313.15 NCMS SOLV-DB
n0 [1.41850; 1.42400]   [298.15; 308.15] Show Hide
n0 1.42260 298.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0 1.42400 298.15 NCMS SOLV-DB
n0 1.42060 303.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0 1.41850 308.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
ρl [782.00; 824.03] kg/m3 [288.15; 343.15] Show Hide
ρl 824.03 kg/m3 288.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 824.00 kg/m3 288.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 821.00 kg/m3 293.00 KDB
ρl 820.31 kg/m3 293.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 820.00 kg/m3 293.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 817.08 kg/m3 298.15 Densities, viscosities and ultrasonic velocities of binary mixtures of methylbenzene with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 and 308.15K
ρl 817.05 kg/m3 298.15 Study of thermodynamic and transport properties of binary liquid mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 K. Experimental results and application of the Prigogine-Flory-Patterson theory
ρl 817.05 kg/m3 298.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 816.56 kg/m3 298.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 817.00 kg/m3 298.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 813.00 kg/m3 303.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 812.77 kg/m3 303.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 809.43 kg/m3 308.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 808.94 kg/m3 308.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 809.89 kg/m3 308.15 Densities, viscosities and ultrasonic velocities of binary mixtures of methylbenzene with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 and 308.15K
ρl 805.00 kg/m3 313.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 805.08 kg/m3 313.15 Volumetric properties of binary liquid mixtures of alcohols with 1,2-dichloroethane at different temperatures and atmospheric pressure
ρl 801.32 kg/m3 318.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 798.00 kg/m3 323.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 793.06 kg/m3 328.15 The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl 791.00 kg/m3 333.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
ρl 782.00 kg/m3 343.15 Effect of temperature on intermolecular interactions between the organic solvents: Insights from density and excess volume
γ 0.03 N/m 298.15 NCMS SOLV-DB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [187.38; 451.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.75000e-01
Coefficient B8.03740e-01
Coefficient C-4.45000e-04
Coefficient D9.33000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.38 J/mol×K 273.00 Calculated Property
Cp,gas 232.01 J/mol×K 353.78 Calculated Property
Cp,gas 272.12 J/mol×K 434.56 Calculated Property
Cp,gas 308.01 J/mol×K 515.33 Calculated Property
Cp,gas 339.98 J/mol×K 596.11 Calculated Property
Cp,gas 368.31 J/mol×K 676.89 Calculated Property
Cp,gas 393.32 J/mol×K 757.67 Calculated Property
Cp,gas 415.28 J/mol×K 838.44 Calculated Property
Cp,gas 434.50 J/mol×K 919.22 Calculated Property
Cp,gas 451.27 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [344.57; 480.29] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40826e+01
Coefficient B-3.26877e+03
Coefficient C-1.07620e+02
Temperature range, min.344.57
Temperature range, max.480.29
Pvap 1.33 kPa 344.57 Calculated Property
Pvap 3.04 kPa 359.65 Calculated Property
Pvap 6.33 kPa 374.73 Calculated Property
Pvap 12.17 kPa 389.81 Calculated Property
Pvap 21.90 kPa 404.89 Calculated Property
Pvap 37.25 kPa 419.97 Calculated Property
Pvap 60.31 kPa 435.05 Calculated Property
Pvap 93.60 kPa 450.13 Calculated Property
Pvap 139.98 kPa 465.21 Calculated Property
Pvap 202.63 kPa 480.29 Calculated Property
Pvap [3.03e-05; 2569.13] kPa [241.55; 637.15] 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 A2.02089e+02
Coefficient B-1.56587e+04
Coefficient C-2.70414e+01
Coefficient D1.21802e-05
Coefficient E0.00000e+00
Temperature range, min.241.55
Temperature range, max.637.15
Pvap 3.03e-05 kPa 241.55 Calculated Property
Pvap 9.44e-03 kPa 285.51 Calculated Property
Pvap 0.41 kPa 329.46 Calculated Property
Pvap 5.45 kPa 373.42 Calculated Property
Pvap 34.00 kPa 417.37 Calculated Property
Pvap 129.53 kPa 461.33 Calculated Property
Pvap 355.35 kPa 505.28 Calculated Property
Pvap 782.26 kPa 549.24 Calculated Property
Pvap 1487.01 kPa 593.19 Calculated Property
Pvap 2569.13 kPa 637.15 Calculated Property
Pvap [7.61e-03; 1.82] kPa [283.00; 353.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.95005e+01
Coefficient B-5.88759e+03
Coefficient C-4.14970e+01
ReferenceGeiseler, Fruwert, et al., 1966
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.283.00
Temperature range, max.353.00
Pvap 7.61e-03 kPa 283.00 Calculated Property
Pvap 0.02 kPa 290.78 Calculated Property
Pvap 0.03 kPa 298.56 Calculated Property
Pvap 0.07 kPa 306.33 Calculated Property
Pvap 0.12 kPa 314.11 Calculated Property
Pvap 0.22 kPa 321.89 Calculated Property
Pvap 0.39 kPa 329.67 Calculated Property
Pvap 0.67 kPa 337.44 Calculated Property
Pvap 1.12 kPa 345.22 Calculated Property
Pvap 1.82 kPa 353.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.01] N/m [241.55; 453.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A5.03583e-02
Coefficient B-8.20000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.241.55
Temperature range, max.453.15
γ 0.03 N/m 241.55 Calculated Property
γ 0.03 N/m 265.06 Calculated Property
γ 0.03 N/m 288.57 Calculated Property
γ 0.02 N/m 312.08 Calculated Property
γ 0.02 N/m 335.59 Calculated Property
γ 0.02 N/m 359.11 Calculated Property
γ 0.02 N/m 382.62 Calculated Property
γ 0.02 N/m 406.13 Calculated Property
γ 0.02 N/m 429.64 Calculated Property
γ 0.01 N/m 453.15 Calculated Property

Similar Compounds

2-Undecanol. 2-Heptadecanol. 2-Nonanol. 2-Nonadecanol. 2-Octanol, (R)-. 2-Tridecanol. 2-Octanol, (S)-. 2-Tetradecanol. 2-Dodecanol. 2-Hexadecanol. 2-PENTADECANOL. 2-Decanol. 2-Eicosanol. 2-Heptanol. 2-Heptanol, (R)-.

Find more compounds similar to 2-Octanol.

Mixtures

Sources

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