Chemical Properties of Butane, 1-methoxy- (CAS 628-28-4)

Butane, 1-methoxy-

InChI
InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
InChI Key
CXBDYQVECUFKRK-UHFFFAOYSA-N
Formula
C5H12O
SMILES
CCCCOC
Molecular Weight1
88.15
CAS
628-28-4
Other Names
  • .alpha.-methoxybutane
  • 1-methoxybutane
  • UN 2350
  • butyl methyl ether
  • ether, butyl methyl
  • methyl butyl ether
  • methyl n-butyl ether
  • n-Butyl methyl ether
  • n-C4H9OCH3
  • «alpha»-Methoxybutane
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Physical Properties

Property Value Unit Source
ω [0.3110; 0.3160]   Show Hide
ω 0.3110 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.3160 KDB
PAff 820.30 kJ/mol NIST
BasG 791.20 kJ/mol NIST
ΔcH°liquid -3391.99 kJ/mol NIST
μ 1.30 debye KDB
ΔfG° -113.78 kJ/mol Joback Calculated Property
ΔfH°gas -258.10 ± 1.10 kJ/mol NIST
ΔfH°liquid -290.50 ± 1.30 kJ/mol NIST
ΔfH°(+) ion 640.00 kJ/mol NIST
ΔfusH° 9.89 kJ/mol Joback Calculated Property
ΔvapH° [32.40; 32.53] kJ/mol Show Hide
ΔvapH° 32.53 kJ/mol NIST
ΔvapH° 32.42 kJ/mol NIST
ΔvapH° 32.40 kJ/mol NIST
ΔvapH° 32.40 kJ/mol NIST
ΔvapH° 32.46 ± 0.12 kJ/mol NIST
ΔvapH° 32.50 ± 0.10 kJ/mol NIST
IE 9.54 eV NIST
log10WS [-0.99; -0.99]   Show Hide
log10WS -0.99 Aq. Solubility Prediction
log10WS -0.99 Estimated Solubility
logPoct/wat 1.433 Crippen Calculated Property
McVol 87.180 ml/mol McGowan Calculated Property
Pc [3318.00; 3371.00] kPa Show Hide
Pc 3370.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc 3371.00 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3371.00 kPa KDB
Pc 3371.00 ± 8.00 kPa NIST
Pc 3318.00 ± 50.66 kPa NIST
Inp [594.00; 616.00]   Show Hide
Inp 594.00 NIST
Inp 601.00 NIST
Inp 600.00 NIST
Inp 616.00 NIST
Inp 615.00 NIST
Inp 602.30 NIST
Inp 604.40 NIST
Inp 616.00 NIST
Ip [755.00; 755.00]   Show Hide
Ip 755.00 NIST
Ip 755.00 NIST
S°gas 390.10 J/mol×K NIST
S°liquid 295.30 J/mol×K NIST
Tboil [335.00; 344.20] K Show Hide
Tboil 343.31 K KDB
Tboil 344.20 K NIST
Tboil 343.00 K NIST
Tboil 343.30 K NIST
Tboil Outlier 335.00 ± 3.00 K NIST
Tboil 343.90 ± 1.00 K NIST
Tc [512.70; 512.80] K Show Hide
Tc 512.70 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc 512.78 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 512.78 K KDB
Tc 512.80 K NIST
Tc 512.78 ± 0.10 K NIST
Tc 512.72 ± 1.00 K NIST
Tfus [157.60; 157.90] K Show Hide
Tfus 157.90 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 157.60 K KDB
Tfus 157.90 K Aq. Solubility Prediction
Ttriple [157.48; 157.48] K Show Hide
Ttriple 157.48 ± 0.05 K NIST
Ttriple 157.48 ± 0.05 K NIST
Vc [0.329; 0.329] m3/kmol Show Hide
Vc 0.329 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc 0.329 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.329 m3/kmol KDB
Vc 0.329 ± 0.003 m3/kmol NIST
Zc [0.2600000; 0.2601280]   Show Hide
Zc 0.2600000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc 0.2601280 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [192.48; 193.00] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 192.48 J/mol×K 298.15 NIST
Cp,liquid 192.70 J/mol×K 298.15 NIST
Cp,liquid 193.00 J/mol×K 298.15 NIST
ΔfusH [10.85; 10.85] kJ/mol [157.48; 157.50] Show Hide
ΔfusH 10.85 kJ/mol 157.48 NIST
ΔfusH 10.85 kJ/mol 157.48 NIST
ΔfusH 10.85 kJ/mol 157.50 NIST
ΔfusH 10.85 kJ/mol 157.50 NIST
ΔvapH [29.55; 32.50] kJ/mol [316.00; 343.30] Show Hide
ΔvapH 29.60 kJ/mol 316.00 NIST
ΔvapH 32.40 kJ/mol 319.00 NIST
ΔvapH 32.50 kJ/mol 330.00 NIST
ΔvapH 29.55 kJ/mol 343.30 NIST
Pvap [3.05; 101.96] kPa [262.99; 343.15] Show Hide
Pvap 3.20 kPa 262.99 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 3.05 kPa 263.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 3.19 kPa 263.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 5.70 kPa 273.04 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 5.44 kPa 273.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 5.70 kPa 273.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 9.60 kPa 283.07 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 9.21 kPa 283.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 9.69 kPa 283.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 15.60 kPa 293.10 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 14.93 kPa 293.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 15.74 kPa 293.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 18.73 kPa 298.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 24.40 kPa 303.12 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 23.30 kPa 303.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 24.61 kPa 303.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 37.17 kPa 313.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 35.15 kPa 313.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 36.80 kPa 313.16 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 36.90 kPa 313.16 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 51.45 kPa 323.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 54.46 kPa 323.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 54.00 kPa 323.20 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 73.31 kPa 333.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap 77.64 kPa 333.15 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 74.10 kPa 333.25 Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap 101.96 kPa 343.15 Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
ρl 744.00 kg/m3 293.00 KDB
ΔfusS [68.90; 68.90] J/mol×K [157.48; 157.48] Show Hide
ΔfusS 68.90 J/mol×K 157.48 NIST
ΔfusS 68.90 J/mol×K 157.48 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
283.15 100.00 755.88
288.15 100.00 750.88
293.15 100.00 745.85
298.15 100.00 740.78
303.15 100.00 735.68
308.15 100.00 730.53
313.15 100.00 725.34
318.15 100.00 720.1
323.15 100.00 714.8
328.15 100.00 709.45
333.15 100.00 704.04
283.15 5000.00 760.82
288.15 5000.00 756.01
293.15 5000.00 751.18
298.15 5000.00 746.29
303.15 5000.00 741.39
308.15 5000.00 736.43
313.15 5000.00 731.47
318.15 5000.00 726.46
323.15 5000.00 721.41
328.15 5000.00 716.32
333.15 5000.00 711.19
283.15 10000.00 765.42
288.15 10000.00 760.78
293.15 10000.00 756.08
298.15 10000.00 751.36
303.15 10000.00 746.66
308.15 10000.00 741.88
313.15 10000.00 737.11
318.15 10000.00 732.32
323.15 10000.00 727.49
328.15 10000.00 722.64
333.15 10000.00 717.74
283.15 15000.00 769.77
288.15 15000.00 765.26
293.15 15000.00 760.71
298.15 15000.00 756.15
303.15 15000.00 751.6
308.15 15000.00 746.98
313.15 15000.00 742.4
318.15 15000.00 737.77
323.15 15000.00 733.12
328.15 15000.00 728.5
333.15 15000.00 723.77
283.15 20000.00 773.91
288.15 20000.00 769.53
293.15 20000.00 765.09
298.15 20000.00 760.68
303.15 20000.00 756.25
308.15 20000.00 751.8
313.15 20000.00 747.36
318.15 20000.00 742.89
323.15 20000.00 738.42
328.15 20000.00 733.93
333.15 20000.00 729.38
283.15 25000.00 777.86
288.15 25000.00 773.58
293.15 25000.00 769.27
298.15 25000.00 764.97
303.15 25000.00 760.68
308.15 25000.00 756.35
313.15 25000.00 752.04
318.15 25000.00 747.69
323.15 25000.00 743.37
328.15 25000.00 739.05
333.15 25000.00 734.64
283.15 30000.00 781.65
288.15 30000.00 777.48
293.15 30000.00 773.26
298.15 30000.00 769.08
303.15 30000.00 764.89
308.15 30000.00 760.67
313.15 30000.00 756.48
318.15 30000.00 752.27
323.15 30000.00 748.07
328.15 30000.00 743.83
333.15 30000.00 739.61
283.15 35000.00 785.29
288.15 35000.00 781.19
293.15 35000.00 777.09
298.15 35000.00 772.99
303.15 35000.00 768.9
308.15 35000.00 764.79
313.15 35000.00 760.7
318.15 35000.00 756.62
323.15 35000.00 752.53
328.15 35000.00 748.41
333.15 35000.00 744.31
283.15 40000.00 788.8
288.15 40000.00 784.79
293.15 40000.00 780.75
298.15 40000.00 776.76
303.15 40000.00 772.76
308.15 40000.00 768.74
313.15 40000.00 764.74
318.15 40000.00 760.76
323.15 40000.00 756.76
328.15 40000.00 752.76
333.15 40000.00 748.78
283.15 45000.00 792.18
288.15 45000.00 788.24
293.15 45000.00 784.3
298.15 45000.00 780.38
303.15 45000.00 776.46
308.15 45000.00 772.53
313.15 45000.00 768.63
318.15 45000.00 764.73
323.15 45000.00 760.83
328.15 45000.00 756.92
333.15 45000.00 753.01
283.15 50000.00 795.45
288.15 50000.00 791.57
293.15 50000.00 787.7
298.15 50000.00 783.87
303.15 50000.00 780.03
308.15 50000.00 776.18
313.15 50000.00 772.34
318.15 50000.00 768.51
323.15 50000.00 764.7
328.15 50000.00 760.91
333.15 50000.00 757.06
283.15 55000.00 798.61
288.15 55000.00 794.8
293.15 55000.00 791.0
298.15 55000.00 787.24
303.15 55000.00 783.46
308.15 55000.00 779.69
313.15 55000.00 775.93
318.15 55000.00 772.16
323.15 55000.00 768.43
328.15 55000.00 764.72
333.15 55000.00 760.97
283.15 60000.00 801.68
288.15 60000.00 797.94
293.15 60000.00 794.21
298.15 60000.00 790.51
303.15 60000.00 786.77
308.15 60000.00 783.07
313.15 60000.00 779.39
318.15 60000.00 775.71
323.15 60000.00 772.05
328.15 60000.00 768.39
333.15 60000.00 764.71
283.15 65000.00 804.67
288.15 65000.00 800.98
293.15 65000.00 797.33
298.15 65000.00 793.65
303.15 65000.00 790.0
308.15 65000.00 786.36
313.15 65000.00 782.73
318.15 65000.00 779.13
323.15 65000.00 775.54
328.15 65000.00 771.91
333.15 65000.00 768.34
Reference

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [126.96; 295.78] 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 A2.38430e+01
Coefficient B4.15640e-01
Coefficient C-1.37200e-04
Coefficient D-6.50000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 126.96 J/mol×K 273.00 Calculated Property
Cp,gas 153.43 J/mol×K 353.78 Calculated Property
Cp,gas 178.02 J/mol×K 434.56 Calculated Property
Cp,gas 200.71 J/mol×K 515.33 Calculated Property
Cp,gas 221.48 J/mol×K 596.11 Calculated Property
Cp,gas 240.31 J/mol×K 676.89 Calculated Property
Cp,gas 257.17 J/mol×K 757.67 Calculated Property
Cp,gas 272.05 J/mol×K 838.44 Calculated Property
Cp,gas 284.93 J/mol×K 919.22 Calculated Property
Cp,gas 295.78 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0044296; 0.0001792] Pa×s [157.80; 358.93] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.11440e+01
Coefficient B9.03330e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.157.80
Temperature range, max.358.93
η 0.0044296 Pa×s 157.80 Calculated Property
η 0.0021775 Pa×s 180.15 Calculated Property
η 0.0012520 Pa×s 202.50 Calculated Property
η 0.0008036 Pa×s 224.84 Calculated Property
η 0.0005589 Pa×s 247.19 Calculated Property
η 0.0004128 Pa×s 269.54 Calculated Property
η 0.0003194 Pa×s 291.89 Calculated Property
η 0.0002563 Pa×s 314.24 Calculated Property
η 0.0002117 Pa×s 336.58 Calculated Property
η 0.0001792 Pa×s 358.93 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [251.29; 367.44] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42391e+01
Coefficient B-2.87959e+03
Coefficient C-4.48890e+01
Temperature range, min.251.29
Temperature range, max.367.44
Pvap 1.33 kPa 251.29 Calculated Property
Pvap 3.03 kPa 264.20 Calculated Property
Pvap 6.29 kPa 277.10 Calculated Property
Pvap 12.08 kPa 290.01 Calculated Property
Pvap 21.73 kPa 302.91 Calculated Property
Pvap 36.98 kPa 315.82 Calculated Property
Pvap 59.96 kPa 328.72 Calculated Property
Pvap 93.22 kPa 341.63 Calculated Property
Pvap 139.69 kPa 354.53 Calculated Property
Pvap 202.65 kPa 367.44 Calculated Property
Pvap [9.97; 3149.67] kPa [285.00; 508.44] 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 A8.25169e+01
Coefficient B-6.53559e+03
Coefficient C-1.02658e+01
Coefficient D9.13606e-06
Coefficient E0.00000e+00
Temperature range, min.285.00
Temperature range, max.508.44
Pvap 9.97 kPa 285.00 Calculated Property
Pvap 30.42 kPa 309.83 Calculated Property
Pvap 76.32 kPa 334.65 Calculated Property
Pvap 165.08 kPa 359.48 Calculated Property
Pvap 318.64 kPa 384.31 Calculated Property
Pvap 563.04 kPa 409.13 Calculated Property
Pvap 928.61 kPa 433.96 Calculated Property
Pvap 1451.04 kPa 458.79 Calculated Property
Pvap 2173.46 kPa 483.61 Calculated Property
Pvap 3149.67 kPa 508.44 Calculated Property
Pvap [16.88; 97.55] kPa [296.11; 342.10] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38357e+01
Coefficient B-2.67163e+03
Coefficient C-5.34440e+01
ReferenceCidlinský and Polák, 1969
Temperature range, min.296.11
Temperature range, max.342.10
Pvap 16.88 kPa 296.11 Calculated Property
Pvap 21.19 kPa 301.22 Calculated Property
Pvap 26.34 kPa 306.33 Calculated Property
Pvap 32.47 kPa 311.44 Calculated Property
Pvap 39.71 kPa 316.55 Calculated Property
Pvap 48.18 kPa 321.66 Calculated Property
Pvap 58.05 kPa 326.77 Calculated Property
Pvap 69.45 kPa 331.88 Calculated Property
Pvap 82.56 kPa 336.99 Calculated Property
Pvap 97.55 kPa 342.10 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.01] N/m [157.65; 343.15] 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 A5.10420e-02
Coefficient B-1.05700e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.157.65
Temperature range, max.343.15
γ 0.03 N/m 157.65 Calculated Property
γ 0.03 N/m 178.26 Calculated Property
γ 0.03 N/m 198.87 Calculated Property
γ 0.03 N/m 219.48 Calculated Property
γ 0.03 N/m 240.09 Calculated Property
γ 0.02 N/m 260.71 Calculated Property
γ 0.02 N/m 281.32 Calculated Property
γ 0.02 N/m 301.93 Calculated Property
γ 0.02 N/m 322.54 Calculated Property
γ 0.01 N/m 343.15 Calculated Property

Similar Compounds

Butane, 1,4-dimethoxy-. n-Butyl ether. Butane, 1-propoxy-. Butane, 1-ethoxy-. Pentane, 1-methoxy-. 1,4-ethoxymethoxybutane. Butane, 1,4-diethoxy-. Tetrahydrofuran. Hexane, 1-methoxy-. Formic acid, butyl ester. Pentane, 1,5-dimethoxy-. 1-Butanol, 4-methoxy-. Eicosyl methyl ether. Methyl undecyl ether. Methyl nonyl ether.

Find more compounds similar to Butane, 1-methoxy-.

Mixtures

Sources

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