Chemical Properties of Octanal (CAS 124-13-0)

Octanal

InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChI Key
NUJGJRNETVAIRJ-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCCCCCCC=O
Molecular Weight1
128.21
CAS
124-13-0
Other Names
  • 1-Octanal
  • 1-heptanecarbaldehyde
  • Aldehyde C-8
  • Antifoam-LF
  • C-8 Aldehyde
  • Caprylaldehyde
  • NSC 1508
  • Octaldehyde
  • Octanaldehyde
  • Octanoic aldehyde
  • Octylaldehyde
  • caprylic aldehyde
  • n-Caprylaldehyde
  • n-Octaldehyde
  • n-Octanal
  • n-Octyl aldehyde
  • n-Octylal
  • octyl aldehyde
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Physical Properties

Property Value Unit Source
ω [0.4318; 0.4636]   Show Hide
ω 0.4318 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.4636 ChemSep v8.3 pure component data Compiled value
ΔcH°liquid -5100.04 kJ/mol NIST
μ 2.32 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -78.25 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas [-291.90; -284.64] kJ/mol Show Hide
ΔfH°gas -284.64 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -291.90 ± 2.80 kJ/mol NIST
ΔfusH° 18.77 kJ/mol Joback Calculated Property
ΔvapH° [43.00; 53.80] kJ/mol Show Hide
ΔvapH° 51.00 ± 0.30 kJ/mol NIST
ΔvapH° 53.80 kJ/mol NIST
ΔvapH° 51.30 ± 0.20 kJ/mol NIST
ΔvapH° 43.00 ± 0.20 kJ/mol NIST
IE 9.59 eV Relay (1.0) Calculated Property
log10WS -2.36 Aq. Solubility Prediction
logPoct/wat 2.546 Crippen Calculated Property
McVol 125.150 ml/mol McGowan Calculated Property
Pc [2550.00; 2960.00] kPa Show Hide
Pc 2960.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc 2958.69 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2550.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2740.00 kPa KDB
Pc 2960.00 ± 50.00 kPa NIST
Ptriple 1.46e-03 kPa ChemSep v8.3 pure component data Compiled value
ρc 262.83 ± 3.85 kg/m3 NIST
Inp [157.60; 1036.00]   Show Hide
Inp 983.00 NIST
Inp 978.00 NIST
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Inp 984.60 NIST
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Inp 984.00 NIST
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Inp 978.00 NIST
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Inp 988.10 NIST
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Inp 979.00 NIST
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Inp 979.90 NIST
Inp 1000.70 NIST
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Inp 979.00 NIST
Inp 973.00 NIST
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Inp 971.00 NIST
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Inp 1012.00 NIST
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Inp 1002.00 NIST
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Inp 986.00 NIST
Inp 1036.00 NIST
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Inp 1008.00 NIST
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Inp 1015.00 NIST
Inp 1001.00 NIST
Inp 982.00 NIST
Inp 978.00 NIST
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Inp 977.00 NIST
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Inp 1004.00 NIST
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Inp 1002.00 NIST
Inp 1005.00 NIST
Inp 985.00 NIST
Inp 1003.00 NIST
Inp 1003.00 NIST
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Inp 980.00 NIST
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Inp 1004.00 NIST
Inp 1000.00 NIST
Inp 981.00 NIST
Inp 982.16 NIST
Inp 1010.00 NIST
Inp 981.00 NIST
Inp 1003.00 NIST
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Inp 1004.00 NIST
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Inp 975.00 NIST
Inp 979.00 NIST
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Inp 1004.00 NIST
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Inp 1013.00 NIST
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Inp 1006.00 NIST
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Inp 973.00 NIST
Inp 1006.00 NIST
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Inp 1001.00 NIST
Inp 1017.00 NIST
Inp 1018.00 NIST
Inp 974.00 NIST
Inp 1001.00 NIST
Inp 982.00 NIST
Inp 1006.00 NIST
Inp 998.00 NIST
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Inp 1005.00 NIST
Inp 1005.00 NIST
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Inp 1001.00 NIST
Inp 1003.00 NIST
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Inp 973.00 NIST
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Inp 1009.00 NIST
Inp 1023.00 NIST
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Inp 1005.00 NIST
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Inp 1006.00 NIST
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Inp 1005.00 NIST
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Inp 1000.00 NIST
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Inp 1005.00 NIST
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Inp 1021.00 NIST
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Inp 1006.00 NIST
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Inp 1003.80 NIST
Inp 979.00 NIST
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Inp 1003.00 NIST
Inp 995.00 NIST
Inp 1006.00 NIST
Inp 1004.00 NIST
Inp 1013.00 NIST
Inp 1013.00 NIST
Inp 1012.00 NIST
Inp 1004.00 NIST
Inp 981.00 NIST
Inp 1013.00 NIST
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Inp 1000.00 NIST
Inp 1003.00 NIST
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Inp 1004.00 NIST
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Inp 986.00 NIST
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Inp 1000.00 NIST
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Inp 979.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 1010.00 NIST
Inp 981.00 NIST
Inp Outlier 160.80 NIST
Inp Outlier 157.60 NIST
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Inp 1007.00 NIST
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Inp 980.00 NIST
Inp 992.00 NIST
Inp 978.00 NIST
Inp Outlier 160.80 NIST
Inp Outlier 157.60 NIST
Ip [1247.00; 1329.00]   Show Hide
Ip Outlier 1319.50 NIST
Ip 1298.80 NIST
Ip 1306.10 NIST
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Ip 1291.00 NIST
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Ip 1277.00 NIST
Ip Outlier 1247.00 NIST
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Ip 1295.00 NIST
Ip 1289.00 NIST
Ip 1292.00 NIST
Ip 1301.00 NIST
Ip 1282.00 NIST
Ip Outlier 1319.00 NIST
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Ip 1286.00 NIST
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Ip 1306.00 NIST
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Ip 1282.00 NIST
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Ip 1297.00 NIST
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Ip 1303.00 NIST
Ip 1299.00 NIST
Ip Outlier 1256.00 NIST
Ip 1278.00 NIST
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Ip 1277.00 NIST
Ip 1306.00 NIST
Ip 1274.00 NIST
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Ip 1299.00 NIST
Ip 1299.00 NIST
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Ip Outlier 1329.00 NIST
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Ip Outlier 1315.00 NIST
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Ip Outlier 1315.00 NIST
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Ip Outlier 1317.00 NIST
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Ip 1289.00 NIST
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Ip Outlier 1247.00 NIST
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Ip 1294.00 NIST
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Ip 1286.00 NIST
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Ip 1292.00 NIST
Ip 1292.00 NIST
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Ip 1267.00 NIST
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Ip 1294.00 NIST
Ip Outlier 1319.00 NIST
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Ip 1289.00 NIST
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Ip 1280.00 NIST
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Ip Outlier 1248.00 NIST
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Ip Outlier 1317.00 NIST
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Ip Outlier 1317.00 NIST
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Ip Outlier 1323.00 NIST
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Ip Outlier 1248.00 NIST
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Ip 1297.00 NIST
Ip 1278.00 NIST
Ip 1274.00 NIST
Ip Outlier 1248.00 NIST
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S°liquid 365.40 J/mol×K NIST
Tboil [441.65; 445.93] K Show Hide
Tboil 445.93 K ChemSep v8.3 pure component data Compiled value
Tboil 444.90 K KDB
Tboil 444.20 K NIST
Tboil 441.65 ± 3.00 K NIST
Tboil 445.15 ± 3.00 K NIST
Tboil 441.65 ± 3.00 K NIST
Tc [621.00; 639.30] K Show Hide
Tc 639.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc 638.10 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 621.00 K ChemSep v8.3 pure component data Compiled value
Tc 621.10 K KDB
Tc 639.30 ± 0.30 K NIST
Tc 638.10 ± 0.80 K NIST
Tfus [246.00; 260.82] K Show Hide
Tfus 250.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 246.00 K ChemSep v8.3 pure component data Compiled value
Tfus 246.00 K KDB
Tfus 260.82 K Aq. Solubility Prediction
Tfus 247.72 ± 0.10 K NIST
Ttriple 246.00 K ChemSep v8.3 pure component data Compiled value
UQi 5.04 ChemSep v8.3 pure component data Compiled value
URi 5.95 ChemSep v8.3 pure component data Compiled value
Vc [0.474; 0.488] m3/kmol Show Hide
Vc 0.488 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc 0.488 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.474 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc [0.2720000; 0.2720000]   Show Hide
Zc 0.2720000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc 0.2720000 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
η [0.0009650; 0.0012000] Pa×s [298.15; 318.15] Show Hide
η 0.0012000 Pa×s 298.15 Density and Viscosity of Several Aldehydes Fragrance Compounds in Their Binary Mixtures with Ethanol at (298.15 K, 308.15 K, and 318.15 K)
η 0.0010740 Pa×s 308.15 Density and Viscosity of Several Aldehydes Fragrance Compounds in Their Binary Mixtures with Ethanol at (298.15 K, 308.15 K, and 318.15 K)
η 0.0009650 Pa×s 318.15 Density and Viscosity of Several Aldehydes Fragrance Compounds in Their Binary Mixtures with Ethanol at (298.15 K, 308.15 K, and 318.15 K)
ΔfusH [25.86; 25.86] kJ/mol [288.20; 288.20] Show Hide
ΔfusH 25.86 kJ/mol 288.20 NIST
ΔfusH 25.86 kJ/mol 288.20 NIST
ΔvapH 43.40 kJ/mol 365.50 NIST
ρl 836.10 kg/m3 298.20 Physical Behavior of the Phases from the Liquid-Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 345.20 K 2.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [165.04; 492.86] J/mol×K [200.00; 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 A1.60880e+02
Coefficient B4.21800e+02
Coefficient C1.91260e+03
Coefficient D3.27800e+02
Coefficient E8.69000e+02
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 165.04 J/mol×K 200.00 Calculated Property
Cp,gas 214.69 J/mol×K 344.44 Calculated Property
Cp,gas 283.13 J/mol×K 488.89 Calculated Property
Cp,gas 337.83 J/mol×K 633.33 Calculated Property
Cp,gas 379.55 J/mol×K 777.78 Calculated Property
Cp,gas 412.52 J/mol×K 922.22 Calculated Property
Cp,gas 439.12 J/mol×K 1066.67 Calculated Property
Cp,gas 460.76 J/mol×K 1211.11 Calculated Property
Cp,gas 478.41 J/mol×K 1355.56 Calculated Property
Cp,gas 492.86 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [244.70; 337.95] J/mol×K [246.00; 447.15] 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 A1.30650e+02
Coefficient B4.63610e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.246.00
Temperature range, max.447.15
Cp,liquid 244.70 J/mol×K 246.00 Calculated Property
Cp,liquid 255.06 J/mol×K 268.35 Calculated Property
Cp,liquid 265.42 J/mol×K 290.70 Calculated Property
Cp,liquid 275.78 J/mol×K 313.05 Calculated Property
Cp,liquid 286.14 J/mol×K 335.40 Calculated Property
Cp,liquid 296.51 J/mol×K 357.75 Calculated Property
Cp,liquid 306.87 J/mol×K 380.10 Calculated Property
Cp,liquid 317.23 J/mol×K 402.45 Calculated Property
Cp,liquid 327.59 J/mol×K 424.80 Calculated Property
Cp,liquid 337.95 J/mol×K 447.15 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0024791; 0.0003425] Pa×s [246.00; 447.15] 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-1.01910e+01
Coefficient B1.07240e+03
Coefficient C-3.05530e-02
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.246.00
Temperature range, max.447.15
η 0.0024791 Pa×s 246.00 Calculated Property
η 0.0017197 Pa×s 268.35 Calculated Property
η 0.0012617 Pa×s 290.70 Calculated Property
η 0.0009674 Pa×s 313.05 Calculated Property
η 0.0007683 Pa×s 335.40 Calculated Property
η 0.0006280 Pa×s 357.75 Calculated Property
η 0.0005255 Pa×s 380.10 Calculated Property
η 0.0004485 Pa×s 402.45 Calculated Property
η 0.0003892 Pa×s 424.80 Calculated Property
η 0.0003425 Pa×s 447.15 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [55.19; 0.00] kJ/mol [246.00; 621.00] 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 A6.77350e+01
Coefficient B4.06070e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)6.21000e+02
CommentRange stopped at Tc; ChemSep gives it to 638.9 K.
Temperature range, min.246.00
Temperature range, max.621.00
ΔvapH 55.19 kJ/mol 246.00 Calculated Property
ΔvapH 52.61 kJ/mol 287.67 Calculated Property
ΔvapH 49.84 kJ/mol 329.33 Calculated Property
ΔvapH 46.81 kJ/mol 371.00 Calculated Property
ΔvapH 43.47 kJ/mol 412.67 Calculated Property
ΔvapH 39.71 kJ/mol 454.33 Calculated Property
ΔvapH 35.33 kJ/mol 496.00 Calculated Property
ΔvapH 29.96 kJ/mol 537.67 Calculated Property
ΔvapH 22.61 kJ/mol 579.33 Calculated Property
ΔvapH 0.00 kJ/mol 621.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [337.82; 469.43] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.57402e+01
Coefficient B-4.22158e+03
Coefficient C-6.46240e+01
Temperature range, min.337.82
Temperature range, max.469.43
Pvap 1.33 kPa 337.82 Calculated Property
Pvap 2.92 kPa 352.44 Calculated Property
Pvap 5.94 kPa 367.07 Calculated Property
Pvap 11.31 kPa 381.69 Calculated Property
Pvap 20.34 kPa 396.31 Calculated Property
Pvap 34.82 kPa 410.94 Calculated Property
Pvap 57.05 kPa 425.56 Calculated Property
Pvap 89.96 kPa 440.18 Calculated Property
Pvap 137.09 kPa 454.81 Calculated Property
Pvap 202.65 kPa 469.43 Calculated Property
Pvap [1.46e-03; 2950.64] kPa [246.00; 638.90] 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 A7.66932e+01
Coefficient B-8.86580e+03
Coefficient C-8.57110e+00
Coefficient D7.94460e-18
Coefficient E6.00000e+00
Temperature range, min.246.00
Temperature range, max.638.90
Pvap 1.46e-03 kPa 246.00 Calculated Property
Pvap 0.08 kPa 289.66 Calculated Property
Pvap 1.37 kPa 333.31 Calculated Property
Pvap 10.51 kPa 376.97 Calculated Property
Pvap 48.19 kPa 420.62 Calculated Property
Pvap 155.43 kPa 464.28 Calculated Property
Pvap 393.10 kPa 507.93 Calculated Property
Pvap 842.29 kPa 551.59 Calculated Property
Pvap 1622.50 kPa 595.24 Calculated Property
Pvap 2950.64 kPa 638.90 Calculated Property
Pvap [1.27e-03; 2906.29] kPa [246.00; 621.00] 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 A2.62505e+02
Coefficient B-1.60884e+04
Coefficient C-3.73436e+01
Coefficient D2.99392e-05
Coefficient E0.00000e+00
Temperature range, min.246.00
Temperature range, max.621.00
Pvap 1.27e-03 kPa 246.00 Calculated Property
Pvap 0.09 kPa 287.67 Calculated Property
Pvap 1.52 kPa 329.33 Calculated Property
Pvap 10.27 kPa 371.00 Calculated Property
Pvap 40.86 kPa 412.67 Calculated Property
Pvap 118.51 kPa 454.33 Calculated Property
Pvap 286.72 kPa 496.00 Calculated Property
Pvap 632.31 kPa 537.67 Calculated Property
Pvap 1349.64 kPa 579.33 Calculated Property
Pvap 2906.29 kPa 621.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [854.38; 262.73] kg/m3 [246.00; 638.90] 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 A6.87678e+01
Coefficient B2.61740e-01
Coefficient C6.38900e+02
Coefficient D2.63480e-01
Temperature range, min.246.00
Temperature range, max.638.90
ρl 854.38 kg/m3 246.00 Calculated Property
ρl 824.14 kg/m3 289.66 Calculated Property
ρl 792.21 kg/m3 333.31 Calculated Property
ρl 758.16 kg/m3 376.97 Calculated Property
ρl 721.40 kg/m3 420.62 Calculated Property
ρl 680.97 kg/m3 464.28 Calculated Property
ρl 635.23 kg/m3 507.93 Calculated Property
ρl 580.88 kg/m3 551.59 Calculated Property
ρl 508.82 kg/m3 595.24 Calculated Property
ρl 262.73 kg/m3 638.90 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.02; 0.11] W/m×K [447.15; 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-1.10890e+02
Coefficient B-4.29880e-05
Coefficient C5.13840e+04
Coefficient D-1.07010e+09
Temperature range, min.447.15
Temperature range, max.1000.00
λgas 0.02 W/m×K 447.15 Calculated Property
λgas 0.03 W/m×K 508.58 Calculated Property
λgas 0.03 W/m×K 570.01 Calculated Property
λgas 0.04 W/m×K 631.43 Calculated Property
λgas 0.05 W/m×K 692.86 Calculated Property
λgas 0.06 W/m×K 754.29 Calculated Property
λgas 0.07 W/m×K 815.72 Calculated Property
λgas 0.08 W/m×K 877.14 Calculated Property
λgas 0.10 W/m×K 938.57 Calculated Property
λgas 0.11 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.15; 0.08] W/m×K [246.00; 573.15] 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 A2.01430e-01
Coefficient B-2.11020e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.246.00
Temperature range, max.573.15
λliquid 0.15 W/m×K 246.00 Calculated Property
λliquid 0.14 W/m×K 282.35 Calculated Property
λliquid 0.13 W/m×K 318.70 Calculated Property
λliquid 0.13 W/m×K 355.05 Calculated Property
λliquid 0.12 W/m×K 391.40 Calculated Property
λliquid 0.11 W/m×K 427.75 Calculated Property
λliquid 0.10 W/m×K 464.10 Calculated Property
λliquid 0.10 W/m×K 500.45 Calculated Property
λliquid 0.09 W/m×K 536.80 Calculated Property
λliquid 0.08 W/m×K 573.15 Calculated Property

Similar Compounds

TETRACOSANAL. Heptacosanal. Docosanal. Heptadecanal-. Triacontanal. Octadecanal. Hexadecanal. Pentadecanal-. Tetradecanal. Nonadecanal. Heneicosanal. Hexacosanal. Decanal. Tricosanal. Dodecanal.

Find more compounds similar to Octanal.

Mixtures

Sources

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