Chemical Properties of Octane, 4-methyl- (CAS 2216-34-4)

Octane, 4-methyl-

InChI
InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChI Key
DOGIHOCMZJUJNR-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCCC(C)CCC
Molecular Weight1
128.26
CAS
2216-34-4
Other Names
  • 1,3-Dimethylheptane
  • 4-methyloctane
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Physical Properties

Property Value Unit Source
ω [0.4129; 0.4160]   Show Hide
ω 0.4129 ChemSep v8.3 pure component data Compiled value
ω 0.4160 KDB
AP 347.650 K KDB
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 21.70 kJ/mol ChemSep v8.3 pure component data Compiled value
Δc,grossH 6121.78 kJ/mol KDB
Δc,netH 5681.663 kJ/mol KDB
ΔfH°gas -233.60 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 15.54 kJ/mol Joback Calculated Property
ΔvapH° 44.50 kJ/mol NIST
IE 9.65 eV Relay (1.0) Calculated Property
log10WS -5.43 Relay (1.0) Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2330.00; 2340.00] kPa Show Hide
Pc 2340.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2330.00 kPa KDB
Ptriple 3.18e-08 kPa ChemSep v8.3 pure component data Compiled value
Inp [856.30; 881.00]   Show Hide
Inp 863.00 NIST
Inp 863.00 NIST
Inp 862.00 NIST
Inp 862.50 NIST
Inp 862.70 NIST
Inp 864.60 NIST
Inp 864.70 NIST
Inp 861.00 NIST
Inp 863.30 NIST
Inp 863.00 NIST
Inp 863.10 NIST
Inp 868.00 NIST
Inp 861.00 NIST
Inp 862.00 NIST
Inp 860.00 NIST
Inp 859.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 862.00 NIST
Inp 863.00 NIST
Inp 864.00 NIST
Inp 866.00 NIST
Inp 862.85 NIST
Inp 863.00 NIST
Inp 861.00 NIST
Inp 861.00 NIST
Inp Outlier 874.40 NIST
Inp 868.00 NIST
Inp 863.00 NIST
Inp 864.00 NIST
Inp 865.90 NIST
Inp 863.50 NIST
Inp Outlier 856.30 NIST
Inp 863.70 NIST
Inp 862.91 NIST
Inp 863.09 NIST
Inp 866.00 NIST
Inp 865.16 NIST
Inp 865.34 NIST
Inp 865.43 NIST
Inp 864.58 NIST
Inp 864.75 NIST
Inp 864.91 NIST
Inp 861.00 NIST
Inp 858.00 NIST
Inp 864.00 NIST
Inp 863.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 866.00 NIST
Inp 867.00 NIST
Inp 864.10 NIST
Inp 865.00 NIST
Inp 864.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 864.00 NIST
Inp Outlier 873.00 NIST
Inp 868.00 NIST
Inp 861.00 NIST
Inp 861.00 NIST
Inp Outlier 881.00 NIST
Inp Outlier 875.00 NIST
Inp 865.90 NIST
Inp 863.09 NIST
Inp 864.58 NIST
Ip [823.00; 823.00]   Show Hide
Ip 823.00 NIST
Ip 823.00 NIST
Ip 823.00 NIST
Tboil [414.10; 416.00] K Show Hide
Tboil 415.59 K ChemSep v8.3 pure component data Compiled value
Tboil 415.60 K KDB
Tboil 416.00 ± 2.00 K NIST
Tboil 416.00 ± 3.00 K NIST
Tboil Outlier 414.15 ± 2.00 K NIST
Tboil Outlier 414.10 ± 2.00 K NIST
Tboil 415.57 ± 0.20 K NIST
Tboil 415.45 ± 0.40 K NIST
Tboil 415.61 ± 0.30 K NIST
Tboil 415.60 ± 0.30 K NIST
Tboil 415.60 ± 0.30 K NIST
Tboil 415.64 ± 0.20 K NIST
Tboil 415.64 ± 0.20 K NIST
Tboil 415.58 ± 0.15 K NIST
Tboil 415.63 ± 0.10 K NIST
Tboil 414.75 ± 0.70 K NIST
Tboil 414.75 ± 0.30 K NIST
Tboil 414.75 ± 0.30 K NIST
Tc [586.70; 587.65] K Show Hide
Tc 587.65 K ChemSep v8.3 pure component data Compiled value
Tc 586.70 K KDB
Tfus [154.02; 219.62] K Show Hide
Tfus 160.00 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 159.95 K ChemSep v8.3 pure component data Compiled value
Tfus 160.00 K KDB
Tfus Outlier 219.62 ± 0.20 K NIST
Tfus 159.95 ± 0.50 K NIST
Tfus 154.02 ± 0.15 K NIST
Tfus 159.85 ± 0.15 K NIST
Ttriple 159.95 K ChemSep v8.3 pure component data Compiled value
UQi 5.47 ChemSep v8.3 pure component data Compiled value
URi 6.52 ChemSep v8.3 pure component data Compiled value
Vc [0.523; 0.533] m3/kmol Show Hide
Vc 0.523 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.533 m3/kmol KDB
Zc [0.2500000; 0.2548220]   Show Hide
Zc 0.2500000 ChemSep v8.3 pure component data Compiled value
Zc 0.2548220 KDB
Zra 0.25 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 36.61 kJ/mol 415.60 KDB
n0 1.40390 298.15 KDB
ρl [653.90; 727.60] kg/m3 [283.15; 373.15] Show Hide
ρl 727.50 kg/m3 283.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 727.60 kg/m3 283.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 719.80 kg/m3 293.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 719.70 kg/m3 293.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 711.70 kg/m3 303.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 711.90 kg/m3 303.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 703.70 kg/m3 313.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 703.90 kg/m3 313.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 695.70 kg/m3 323.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 695.90 kg/m3 323.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 687.50 kg/m3 333.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 679.30 kg/m3 343.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 671.00 kg/m3 353.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 662.50 kg/m3 363.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl 653.90 kg/m3 373.15 Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [130.04; 563.57] J/mol×K [150.00; 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 A1.16790e+02
Coefficient B-5.88340e+02
Coefficient C6.50424e+00
Coefficient D1.52010e-05
Coefficient E-1.45610e-08
Temperature range, min.150.00
Temperature range, max.1500.00
Cp,gas 130.04 J/mol×K 150.00 Calculated Property
Cp,gas 211.08 J/mol×K 300.00 Calculated Property
Cp,gas 298.19 J/mol×K 450.00 Calculated Property
Cp,gas 368.32 J/mol×K 600.00 Calculated Property
Cp,gas 422.61 J/mol×K 750.00 Calculated Property
Cp,gas 464.87 J/mol×K 900.00 Calculated Property
Cp,gas 498.18 J/mol×K 1050.00 Calculated Property
Cp,gas 524.78 J/mol×K 1200.00 Calculated Property
Cp,gas 546.20 J/mol×K 1350.00 Calculated Property
Cp,gas 563.57 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [232.61; 409.20] J/mol×K [159.95; 500.00] 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 A7.15820e+01
Coefficient B1.00570e+02
Coefficient C3.70424e+00
Coefficient D5.07830e-03
Coefficient E-2.49050e-06
Temperature range, min.159.95
Temperature range, max.500.00
Cp,liquid 232.61 J/mol×K 159.95 Calculated Property
Cp,liquid 238.86 J/mol×K 197.73 Calculated Property
Cp,liquid 250.90 J/mol×K 235.52 Calculated Property
Cp,liquid 266.80 J/mol×K 273.30 Calculated Property
Cp,liquid 285.65 J/mol×K 311.08 Calculated Property
Cp,liquid 306.93 J/mol×K 348.87 Calculated Property
Cp,liquid 330.25 J/mol×K 386.65 Calculated Property
Cp,liquid 355.29 J/mol×K 424.43 Calculated Property
Cp,liquid 381.72 J/mol×K 462.22 Calculated Property
Cp,liquid 409.20 J/mol×K 500.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0151918; 0.0001300] Pa×s [159.95; 470.12] 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-1.18370e+01
Coefficient B1.16200e+03
Coefficient C7.72370e-02
Coefficient D-2.63360e-07
Coefficient E2.00000e+00
Temperature range, min.159.95
Temperature range, max.470.12
η 0.0151918 Pa×s 159.95 Calculated Property
η 0.0042410 Pa×s 194.41 Calculated Property
η 0.0017395 Pa×s 228.88 Calculated Property
η 0.0009008 Pa×s 263.34 Calculated Property
η 0.0005430 Pa×s 297.80 Calculated Property
η 0.0003632 Pa×s 332.27 Calculated Property
η 0.0002618 Pa×s 366.73 Calculated Property
η 0.0001994 Pa×s 401.19 Calculated Property
η 0.0001584 Pa×s 435.66 Calculated Property
η 0.0001300 Pa×s 470.12 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [52.38; 0.00] kJ/mol [159.95; 587.65] 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 A6.29160e+01
Coefficient B7.44600e-01
Coefficient C-8.08820e-01
Coefficient D8.02280e-01
Coefficient E-3.38950e-01
Critical temperature, Tc (K)5.87650e+02
Temperature range, min.159.95
Temperature range, max.587.65
ΔvapH 52.38 kJ/mol 159.95 Calculated Property
ΔvapH 49.64 kJ/mol 207.47 Calculated Property
ΔvapH 46.88 kJ/mol 254.99 Calculated Property
ΔvapH 44.00 kJ/mol 302.52 Calculated Property
ΔvapH 40.89 kJ/mol 350.04 Calculated Property
ΔvapH 37.45 kJ/mol 397.56 Calculated Property
ΔvapH 33.50 kJ/mol 445.08 Calculated Property
ΔvapH 28.71 kJ/mol 492.61 Calculated Property
ΔvapH 22.11 kJ/mol 540.13 Calculated Property
ΔvapH 0.00 kJ/mol 587.65 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [302.68; 443.50] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.45395e+01
Coefficient B-3.68657e+03
Coefficient C-4.40050e+01
Temperature range, min.302.68
Temperature range, max.443.50
Pvap 1.33 kPa 302.68 Calculated Property
Pvap 3.01 kPa 318.33 Calculated Property
Pvap 6.21 kPa 333.97 Calculated Property
Pvap 11.90 kPa 349.62 Calculated Property
Pvap 21.42 kPa 365.27 Calculated Property
Pvap 36.50 kPa 380.91 Calculated Property
Pvap 59.31 kPa 396.56 Calculated Property
Pvap 92.50 kPa 412.21 Calculated Property
Pvap 139.12 kPa 427.85 Calculated Property
Pvap 202.65 kPa 443.50 Calculated Property
Pvap [2.27e-09; 2340.00] kPa [159.95; 573.23] 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 A1.61583e+02
Coefficient B-1.11386e+04
Coefficient C-2.21349e+01
Coefficient D1.88399e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 587.65 K.
Temperature range, min.159.95
Temperature range, max.573.23
Pvap 2.27e-09 kPa 159.95 Calculated Property
Pvap 6.50e-05 kPa 205.87 Calculated Property
Pvap 0.02 kPa 251.79 Calculated Property
Pvap 0.78 kPa 297.71 Calculated Property
Pvap 8.46 kPa 343.63 Calculated Property
Pvap 45.36 kPa 389.55 Calculated Property
Pvap 160.27 kPa 435.47 Calculated Property
Pvap 441.85 kPa 481.39 Calculated Property
Pvap 1055.61 kPa 527.31 Calculated Property
Pvap 2340.00 kPa 573.23 Calculated Property
Pvap [3.07e-08; 2243.54] kPa [159.95; 587.65] 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 A7.99304e+01
Coefficient B-7.86955e+03
Coefficient C-9.48846e+00
Coefficient D4.85511e-06
Coefficient E0.00000e+00
Temperature range, min.159.95
Temperature range, max.587.65
Pvap 3.07e-08 kPa 159.95 Calculated Property
Pvap 2.22e-04 kPa 207.47 Calculated Property
Pvap 0.04 kPa 254.99 Calculated Property
Pvap 1.18 kPa 302.52 Calculated Property
Pvap 11.70 kPa 350.04 Calculated Property
Pvap 61.04 kPa 397.56 Calculated Property
Pvap 210.19 kPa 445.08 Calculated Property
Pvap 548.67 kPa 492.61 Calculated Property
Pvap 1184.99 kPa 540.13 Calculated Property
Pvap 2243.54 kPa 587.65 Calculated Property
Property Value Unit Temperature (K) Source
ρl [814.75; 245.46] kg/m3 [159.95; 587.65] 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 A6.58410e+01
Coefficient B2.68240e-01
Coefficient C5.87650e+02
Coefficient D2.90750e-01
Temperature range, min.159.95
Temperature range, max.587.65
ρl 814.75 kg/m3 159.95 Calculated Property
ρl 782.50 kg/m3 207.47 Calculated Property
ρl 748.70 kg/m3 254.99 Calculated Property
ρl 712.99 kg/m3 302.52 Calculated Property
ρl 674.79 kg/m3 350.04 Calculated Property
ρl 633.26 kg/m3 397.56 Calculated Property
ρl 586.89 kg/m3 445.08 Calculated Property
ρl 532.66 kg/m3 492.61 Calculated Property
ρl 462.42 kg/m3 540.13 Calculated Property
ρl 245.46 kg/m3 587.65 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.01] N/m [160.15; 415.15] 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 A4.98961e-02
Coefficient B-9.40000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.160.15
Temperature range, max.415.15
γ 0.03 N/m 160.15 Calculated Property
γ 0.03 N/m 188.48 Calculated Property
γ 0.03 N/m 216.82 Calculated Property
γ 0.03 N/m 245.15 Calculated Property
γ 0.02 N/m 273.48 Calculated Property
γ 0.02 N/m 301.82 Calculated Property
γ 0.02 N/m 330.15 Calculated Property
γ 0.02 N/m 358.48 Calculated Property
γ 0.01 N/m 386.82 Calculated Property
γ 0.01 N/m 415.15 Calculated Property
γ [0.04; 1.16e-05] N/m [159.95; 583.37] 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-9.01330e-03
Coefficient B2.79890e+01
Coefficient C-3.17720e+00
Coefficient D1.38170e-04
Coefficient E-4.87520e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 587.65 K.
Temperature range, min.159.95
Temperature range, max.583.37
γ 0.04 N/m 159.95 Calculated Property
γ 0.03 N/m 207.00 Calculated Property
γ 0.03 N/m 254.04 Calculated Property
γ 0.02 N/m 301.09 Calculated Property
γ 0.02 N/m 348.14 Calculated Property
γ 0.01 N/m 395.18 Calculated Property
γ 0.01 N/m 442.23 Calculated Property
γ 0.01 N/m 489.28 Calculated Property
γ 0.00 N/m 536.33 Calculated Property
γ 1.16e-05 N/m 583.37 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [159.95; 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 A3.87840e-05
Coefficient B1.11700e+00
Coefficient C-1.85060e+02
Coefficient D1.77130e+05
Temperature range, min.159.95
Temperature range, max.1000.00
λgas 0.00 W/m×K 159.95 Calculated Property
λgas 0.01 W/m×K 253.29 Calculated Property
λgas 0.01 W/m×K 346.63 Calculated Property
λgas 0.02 W/m×K 439.97 Calculated Property
λgas 0.03 W/m×K 533.31 Calculated Property
λgas 0.04 W/m×K 626.64 Calculated Property
λgas 0.06 W/m×K 719.98 Calculated Property
λgas 0.07 W/m×K 813.32 Calculated Property
λgas 0.08 W/m×K 906.66 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.16; 0.08] W/m×K [159.95; 470.00] 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 A-1.66300e-01
Coefficient B9.28480e+00
Coefficient C-1.10680e+00
Coefficient D-2.84050e-04
Coefficient E-7.40800e-07
Temperature range, min.159.95
Temperature range, max.470.00
λliquid 0.16 W/m×K 159.95 Calculated Property
λliquid 0.15 W/m×K 194.40 Calculated Property
λliquid 0.14 W/m×K 228.85 Calculated Property
λliquid 0.14 W/m×K 263.30 Calculated Property
λliquid 0.13 W/m×K 297.75 Calculated Property
λliquid 0.12 W/m×K 332.20 Calculated Property
λliquid 0.11 W/m×K 366.65 Calculated Property
λliquid 0.10 W/m×K 401.10 Calculated Property
λliquid 0.09 W/m×K 435.55 Calculated Property
λliquid 0.08 W/m×K 470.00 Calculated Property

Similar Compounds

Nonane, 5-methyl-. Octatriacontane, 17-methyl. 13,19-Dimethylnonatriacontane. 2,8-Dimethylhexacosane. 2,10,20-Trimethyltriacontane. 7,11,17,21-tetramethylhentriacontane. 2,10,18-Trimethyltetratriacontane. 11,19-Dimethyldotriacontane. 13,19-Dimethyltritriacontane. Hexatriacontane, 12-methyl. 11,19,23-trimethyl-heptatriacontane. 6,10,14,18-tetramethyltetracontane. 12,16-dimethyltetratriacontane. 5,11-Dimethylhexacosane. Hexatriacontane, 12,16-dimethyl.

Find more compounds similar to Octane, 4-methyl-.

Sources

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