Chemical Properties of Butanoic acid, methyl ester (CAS 623-42-7)

Butanoic acid, methyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChI Key
UUIQMZJEGPQKFD-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCC(=O)OC
Molecular Weight1
102.13
CAS
623-42-7
Other Names
  • Butyric acid, methyl ester
  • Methyl butanoate
  • Methyl butyrate
  • Methyl ester of butanoic acid
  • Methyl n-butanoate
  • Methyl n-butyrate
  • NSC 9380
  • Propyl butyrate
  • UN 1237
  • n-Butyric acid methyl ester
  • n-C3H7COOCH3
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Physical Properties

Property Value Unit Source
ω 0.3800 KDB
PAff 836.40 kJ/mol NIST
BasG 805.40 kJ/mol NIST
Δcliquid -2900.00 kJ/mol NIST
μ 1.70 debye KDB
Δf -242.70 kJ/mol Joback Calculated Property
Δfgas -391.33 kJ/mol Joback Calculated Property
Δfus 11.36 kJ/mol Phase e...
Δvap [39.00; 40.60] kJ/mol Show Hide
Δvap 39.33 kJ/mol NIST
Δvap 40.30 ± 0.50 kJ/mol NIST
Δvap 40.60 ± 0.10 kJ/mol NIST
Δvap 40.60 ± 0.20 kJ/mol NIST
Δvap 39.30 kJ/mol NIST
Δvap 39.00 ± 0.40 kJ/mol NIST
Δvap 40.40 kJ/mol NIST
Δvap 40.10 ± 0.40 kJ/mol NIST
Δvap 39.80 ± 0.30 kJ/mol NIST
Δvap 39.28 ± 0.22 kJ/mol NIST
Δvap 39.30 ± 0.20 kJ/mol NIST
IE [10.07; 10.15] eV Show Hide
IE 10.07 ± 0.03 eV NIST
IE 10.15 eV NIST
log10WS [-1.92; -0.82]   Show Hide
log10WS -0.82 Aq. Sol...
log10WS -1.92 Estimat...
logPoct/wat 0.959 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
Pc [3470.00; 3650.00] kPa Show Hide
Pc 3470.00 kPa KDB
Pc 3473.00 ± 81.06 kPa NIST
Pc 3470.40 ± 40.00 kPa NIST
Pc 3650.00 ± 202.65 kPa NIST
ρc [291.08; 300.27] kg/m3 Show Hide
ρc 300.17 ± 10.01 kg/m3 NIST
ρc 300.27 ± 4.09 kg/m3 NIST
ρc 291.08 ± 10.01 kg/m3 NIST
Inp [676.00; 745.00]   Show Hide
Inp 705.60 NIST
Inp 719.90 NIST
Inp 719.10 NIST
Inp 718.90 NIST
Inp 697.00 NIST
Inp 723.00 NIST
Inp 706.00 NIST
Inp 710.00 NIST
Inp 710.00 NIST
Inp 709.00 NIST
Inp 717.00 NIST
Inp 706.00 NIST
Inp 711.00 NIST
Inp 702.00 NIST
Inp 715.00 NIST
Inp 714.00 NIST
Inp 704.00 NIST
Inp 714.00 NIST
Inp 705.00 NIST
Inp 708.00 NIST
Inp 705.00 NIST
Inp 708.00 NIST
Inp 705.00 NIST
Inp 710.00 NIST
Inp 702.00 NIST
Inp 710.00 NIST
Inp 710.00 NIST
Inp 717.00 NIST
Inp 727.00 NIST
Inp 724.00 NIST
Inp 724.00 NIST
Inp 723.00 NIST
Inp Outlier 740.00 NIST
Inp Outlier 690.00 NIST
Inp 723.00 NIST
Inp 730.00 NIST
Inp 696.00 NIST
Inp 724.00 NIST
Inp 707.00 NIST
Inp 696.00 NIST
Inp 696.00 NIST
Inp 719.00 NIST
Inp 720.00 NIST
Inp 719.00 NIST
Inp 720.00 NIST
Inp 709.50 NIST
Inp 707.20 NIST
Inp 708.00 NIST
Inp 720.00 NIST
Inp 720.60 NIST
Inp 728.00 NIST
Inp 735.00 NIST
Inp 731.00 NIST
Inp 717.00 NIST
Inp Outlier 737.00 NIST
Inp 724.00 NIST
Inp 704.00 NIST
Inp 720.00 NIST
Inp 711.00 NIST
Inp 716.00 NIST
Inp 706.00 NIST
Inp 716.00 NIST
Inp Outlier 676.00 NIST
Inp 721.00 NIST
Inp 728.00 NIST
Inp 723.00 NIST
Inp 705.00 NIST
Inp 698.00 NIST
Inp 724.00 NIST
Inp 723.00 NIST
Inp 710.00 NIST
Inp 710.00 NIST
Inp 710.00 NIST
Inp 714.00 NIST
Inp 722.00 NIST
Inp 724.00 NIST
Inp 706.00 NIST
Inp 722.00 NIST
Inp 712.00 NIST
Inp 705.00 NIST
Inp 705.00 NIST
Inp 703.00 NIST
Inp 706.00 NIST
Inp 705.00 NIST
Inp 705.00 NIST
Inp 709.00 NIST
Inp 710.00 NIST
Inp 706.00 NIST
Inp Outlier 745.00 NIST
Inp 712.00 NIST
Inp Outlier 745.00 NIST
Inp 729.00 NIST
Inp 722.00 NIST
Inp 725.00 NIST
Inp 724.00 NIST
Inp 702.00 NIST
Inp 723.00 NIST
Inp 702.00 NIST
Inp 717.00 NIST
Inp 705.00 NIST
Inp 725.00 NIST
Inp 715.00 NIST
Inp 723.00 NIST
Inp 723.00 NIST
Inp 726.00 NIST
Inp 723.00 NIST
Inp 720.00 NIST
Inp 705.00 NIST
Inp 706.00 NIST
Inp 704.00 NIST
Inp 706.00 NIST
Inp 706.00 NIST
Inp 723.00 NIST
Inp 702.00 NIST
Inp 704.00 NIST
Inp 705.00 NIST
Inp 723.00 NIST
Inp 705.60 NIST
Inp 723.00 NIST
Inp 717.00 NIST
Inp 714.00 NIST
Inp 705.00 NIST
Inp 710.00 NIST
Inp 720.60 NIST
Inp Outlier 737.00 NIST
Inp Outlier 745.00 NIST
Inp 725.00 NIST
Inp 706.00 NIST
Inp 702.00 NIST
Inp 721.00 NIST
Inp 724.00 NIST
Inp 712.00 NIST
Inp 716.00 NIST
Inp 730.00 NIST
Inp 696.00 NIST
Inp 709.50 NIST
I [943.00; 1026.00]   Show Hide
I 982.00 NIST
I 997.00 NIST
I 1008.00 NIST
I 980.00 NIST
I 975.00 NIST
I 990.00 NIST
I 992.00 NIST
I 981.00 NIST
I 993.00 NIST
I 980.00 NIST
I 998.00 NIST
I 976.00 NIST
I 989.00 NIST
I 953.00 NIST
I 993.00 NIST
I 955.00 NIST
I 958.00 NIST
I 955.00 NIST
I 979.00 NIST
I 993.00 NIST
I 985.00 NIST
I 980.00 NIST
I 969.00 NIST
I 969.00 NIST
I 978.00 NIST
I 984.00 NIST
I 961.00 NIST
I 967.00 NIST
I 977.00 NIST
I 971.00 NIST
I 982.00 NIST
I 987.00 NIST
I 989.00 NIST
I 995.00 NIST
I 973.00 NIST
I 1001.00 NIST
I 965.00 NIST
I 971.00 NIST
I 1000.00 NIST
I Outlier 1026.00 NIST
I 983.00 NIST
I 981.00 NIST
I 971.00 NIST
I Outlier 943.00 NIST
I 986.00 NIST
I 982.00 NIST
I 981.00 NIST
I 992.00 NIST
I 992.00 NIST
I 989.00 NIST
I 1000.00 NIST
I 983.00 NIST
I 983.00 NIST
I 993.00 NIST
I Outlier 945.00 NIST
I 985.00 NIST
I 975.00 NIST
I 982.00 NIST
I 984.00 NIST
I 1004.00 NIST
I 955.00 NIST
I 994.00 NIST
I 981.00 NIST
I 983.00 NIST
I 975.00 NIST
I 974.00 NIST
I 975.00 NIST
I 975.00 NIST
I 1000.00 NIST
I 985.00 NIST
I 980.00 NIST
I 1004.00 NIST
I 975.00 NIST
I 985.00 NIST
I 982.00 NIST
I 992.00 NIST
I 976.00 NIST
I 958.00 NIST
I 980.00 NIST
I 961.00 NIST
I 1001.00 NIST
Tboil [369.05; 377.25] K Show Hide
Tboil 375.90 K KDB
Tboil 375.53 K Isobari...
Tboil 375.50 K NIST
Tboil 374.00 K NIST
Tboil 375.90 K NIST
Tboil 375.15 ± 2.00 K NIST
Tboil 373.65 ± 1.00 K NIST
Tboil 377.25 ± 1.00 K NIST
Tboil 375.65 ± 1.00 K NIST
Tboil 375.00 ± 2.00 K NIST
Tboil 375.80 ± 0.50 K NIST
Tboil 375.80 ± 0.50 K NIST
Tboil 375.80 ± 1.00 K NIST
Tboil 374.75 ± 1.00 K NIST
Tboil 375.90 ± 1.00 K NIST
Tboil 375.95 ± 1.00 K NIST
Tboil 375.00 ± 2.00 K NIST
Tboil 375.65 ± 1.00 K NIST
Tboil 375.90 ± 1.00 K NIST
Tboil 375.50 ± 1.50 K NIST
Tboil 375.65 ± 1.00 K NIST
Tboil 376.65 ± 1.00 K NIST
Tboil Outlier 369.05 ± 1.00 K NIST
Tboil Outlier 369.05 ± 1.00 K NIST
Tc [544.70; 554.50] K Show Hide
Tc 554.40 K KDB
Tc 554.50 ± 1.00 K NIST
Tc 554.50 ± 1.00 K NIST
Tc 551.20 ± 3.00 K NIST
Tc 544.70 ± 8.00 K NIST
Tfus [184.55; 187.30] K Show Hide
Tfus 184.55 K Aq. Sol...
Tfus 187.30 K KDB
Vc 0.340 m3/kmol KDB
Zc 0.2559460 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [163.46; 210.46] J/mol×K [390.09; 568.66] Show Hide
Cp,gas 163.46 J/mol×K 390.09 Joback Calculated Property
Cp,gas 171.91 J/mol×K 419.85 Joback Calculated Property
Cp,gas 180.12 J/mol×K 449.61 Joback Calculated Property
Cp,gas 188.08 J/mol×K 479.38 Joback Calculated Property
Cp,gas 195.80 J/mol×K 509.14 Joback Calculated Property
Cp,gas 203.26 J/mol×K 538.90 Joback Calculated Property
Cp,gas 210.46 J/mol×K 568.66 Joback Calculated Property
Cp,liquid [198.16; 200.80] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 198.16 J/mol×K 298.15 NIST
Cp,liquid 200.80 J/mol×K 298.15 NIST
η [0.0002744; 0.0027914] Pa×s [218.27; 390.09] Show Hide
η 0.0027914 Pa×s 218.27 Joback Calculated Property
η 0.0015155 Pa×s 246.91 Joback Calculated Property
η 0.0009341 Pa×s 275.54 Joback Calculated Property
η 0.0006307 Pa×s 304.18 Joback Calculated Property
η 0.0004556 Pa×s 332.82 Joback Calculated Property
η 0.0003466 Pa×s 361.45 Joback Calculated Property
η 0.0002744 Pa×s 390.09 Joback Calculated Property
ΔvapH [33.79; 42.80] kJ/mol [284.00; 460.00] Show Hide
ΔvapH 41.10 ± 0.20 kJ/mol 284.00 NIST
ΔvapH 42.80 kJ/mol 310.50 NIST
ΔvapH 38.40 kJ/mol 338.50 NIST
ΔvapH 36.90 kJ/mol 350.00 NIST
ΔvapH 36.40 kJ/mol 366.50 NIST
ΔvapH 33.79 kJ/mol 375.90 NIST
ΔvapH 34.20 kJ/mol 460.00 NIST
Pvap [1.06; 5.70] kPa [274.30; 303.20] Show Hide
Pvap 1.06 kPa 274.30 Transpi...
Pvap 1.29 kPa 276.40 Transpi...
Pvap 1.40 kPa 278.20 Transpi...
Pvap 1.49 kPa 279.40 Transpi...
Pvap 1.63 kPa 281.30 Transpi...
Pvap 1.71 kPa 281.60 Transpi...
Pvap 1.85 kPa 283.40 Transpi...
Pvap 1.96 kPa 283.70 Transpi...
Pvap 2.10 kPa 285.50 Transpi...
Pvap 2.24 kPa 285.80 Transpi...
Pvap 2.54 kPa 288.30 Transpi...
Pvap 2.52 kPa 288.30 Transpi...
Pvap 2.47 kPa 288.30 Transpi...
Pvap 2.93 kPa 290.30 Transpi...
Pvap 3.09 kPa 291.20 Transpi...
Pvap 2.94 kPa 291.20 Transpi...
Pvap 3.21 kPa 292.20 Transpi...
Pvap 3.38 kPa 293.20 Transpi...
Pvap 3.72 kPa 294.30 Transpi...
Pvap 4.07 kPa 295.30 Transpi...
Pvap 4.48 kPa 298.10 Transpi...
Pvap 5.22 kPa 300.20 Transpi...
Pvap 5.30 kPa 301.20 Transpi...
Pvap 5.70 kPa 303.20 Transpi...
n0 [1.37530; 1.38600]   [298.15; 318.15] Show Hide
n0 1.38502 298.15 Excess ...
n0 1.38600 298.15 Thermod...
n0 1.38450 298.15 A Study...
n0 1.38470 298.15 Vapor-L...
n0 1.38470 298.15 Vapor-L...
n0 1.38510 298.15 Measure...
n0 1.37530 318.15 Excess ...
ρl [741.06; 903.34] kg/m3 [288.15; 423.15] Show Hide
ρl 903.34 kg/m3 288.15 Thermal...
ρl 898.00 kg/m3 293.00 KDB
ρl 898.05 kg/m3 293.15 Experim...
ρl 897.88 kg/m3 293.15 Thermal...
ρl 892.62 kg/m3 298.15 Densiti...
ρl 892.38 kg/m3 298.15 Thermal...
ρl 886.86 kg/m3 303.15 Thermal...
ρl 886.90 kg/m3 303.15 Experim...
ρl 881.30 kg/m3 308.15 Thermal...
ρl 875.74 kg/m3 313.15 Thermal...
ρl 875.70 kg/m3 313.15 Experim...
ρl 870.14 kg/m3 318.15 Thermal...
ρl 863.41 kg/m3 323.15 Experim...
ρl 853.04 kg/m3 333.15 Experim...
ρl 841.50 kg/m3 343.15 Experim...
ρl 829.80 kg/m3 353.15 Experim...
ρl 817.71 kg/m3 363.15 Experim...
ρl 806.03 kg/m3 373.15 Experim...
ρl 793.68 kg/m3 383.15 Experim...
ρl 780.99 kg/m3 393.15 Experim...
ρl 767.63 kg/m3 403.15 Experim...
ρl 754.74 kg/m3 413.15 Experim...
ρl 741.06 kg/m3 423.15 Experim...
λ [0.12; 0.15] W/m×K [283.34; 358.18] Show Hide
λ 0.15 W/m×K 283.34 Experim...
λ 0.14 W/m×K 288.30 Experim...
λ 0.14 W/m×K 293.39 Experim...
λ 0.14 W/m×K 297.41 Experim...
λ 0.14 W/m×K 298.44 Experim...
λ 0.14 W/m×K 301.30 Experim...
λ 0.14 W/m×K 305.42 Experim...
λ 0.14 W/m×K 309.31 Experim...
λ 0.14 W/m×K 313.29 Experim...
λ 0.13 W/m×K 318.38 Experim...
λ 0.13 W/m×K 323.35 Experim...
λ 0.13 W/m×K 328.55 Experim...
λ 0.13 W/m×K 333.25 Experim...
λ 0.13 W/m×K 338.40 Experim...
λ 0.12 W/m×K 343.25 Experim...
λ 0.12 W/m×K 348.24 Experim...
λ 0.12 W/m×K 353.35 Experim...
λ 0.12 W/m×K 358.18 Experim...

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
293.15 100.00 898.42
293.15 1000.00 898.68
293.15 3000.00 900.65
293.15 5000.00 902.15
293.15 10000.00 906.55
293.15 15000.00 910.63
293.15 20000.00 914.51
293.15 25000.00 918.33
293.15 30000.00 921.95
293.15 35000.00 925.38
293.15 40000.00 928.67
293.15 50000.00 935.38
293.15 60000.00 941.12
303.15 100.00 886.68
303.15 1000.00 887.75
303.15 3000.00 889.67
303.15 5000.00 891.54
303.15 10000.00 895.99
303.15 15000.00 900.35
303.15 20000.00 904.45
303.15 25000.00 908.4
303.15 30000.00 912.18
303.15 35000.00 915.86
303.15 40000.00 919.34
303.15 50000.00 926.18
303.15 60000.00 932.54
313.15 100.00 875.83
313.15 1000.00 876.3
313.15 3000.00 878.42
313.15 5000.00 880.45
313.15 10000.00 885.34
313.15 15000.00 889.92
313.15 20000.00 894.25
313.15 25000.00 898.53
313.15 30000.00 902.47
313.15 35000.00 906.46
313.15 40000.00 910.02
313.15 50000.00 917.24
313.15 60000.00 923.73
323.15 100.00 864.35
323.15 1000.00 865.42
323.15 3000.00 867.62
323.15 5000.00 869.76
323.15 10000.00 875.02
323.15 15000.00 879.93
323.15 20000.00 884.63
323.15 25000.00 888.92
323.15 30000.00 893.19
323.15 35000.00 897.21
323.15 40000.00 901.15
323.15 50000.00 908.62
323.15 60000.00 915.65
333.15 100.00 853.11
333.15 1000.00 854.08
333.15 3000.00 856.55
333.15 5000.00 858.82
333.15 10000.00 864.28
333.15 15000.00 869.44
333.15 20000.00 874.46
333.15 25000.00 879.2
333.15 30000.00 883.56
333.15 35000.00 887.79
333.15 40000.00 892.1
333.15 50000.00 899.8
333.15 60000.00 906.96
343.15 100.00 841.05
343.15 1000.00 842.4
343.15 3000.00 844.95
343.15 5000.00 847.57
343.15 10000.00 853.35
343.15 15000.00 858.9
343.15 20000.00 864.31
343.15 25000.00 869.1
343.15 30000.00 873.89
343.15 35000.00 878.44
343.15 40000.00 882.65
343.15 50000.00 890.89
343.15 60000.00 898.16
353.15 100.00 829.58
353.15 1000.00 830.8
353.15 3000.00 833.71
353.15 5000.00 836.31
353.15 10000.00 842.65
353.15 15000.00 848.71
353.15 20000.00 854.19
353.15 25000.00 859.51
353.15 30000.00 864.51
353.15 35000.00 869.35
353.15 40000.00 873.76
353.15 50000.00 882.24
353.15 60000.00 890.18
363.15 100.00 817.31
363.15 1000.00 818.87
363.15 3000.00 821.94
363.15 5000.00 824.91
363.15 10000.00 831.48
363.15 15000.00 838.19
363.15 20000.00 843.84
363.15 25000.00 849.26
363.15 30000.00 854.68
363.15 35000.00 859.76
363.15 40000.00 864.61
363.15 50000.00 873.56
363.15 60000.00 881.85
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [277.56; 398.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46637e+01
Coefficient B-3.24931e+03
Coefficient C-5.15380e+01
Temperature range, min.277.56
Temperature range, max.398.97
Pvap 1.33 kPa 277.56 Calculated Property
Pvap 3.00 kPa 291.05 Calculated Property
Pvap 6.18 kPa 304.54 Calculated Property
Pvap 11.83 kPa 318.03 Calculated Property
Pvap 21.29 kPa 331.52 Calculated Property
Pvap 36.30 kPa 345.01 Calculated Property
Pvap 59.05 kPa 358.50 Calculated Property
Pvap 92.20 kPa 371.99 Calculated Property
Pvap 138.87 kPa 385.48 Calculated Property
Pvap 202.63 kPa 398.97 Calculated Property
Pvap [1.01e-04; 3451.09] kPa [187.35; 554.50] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.73784e+01
Coefficient B-8.00472e+03
Coefficient C-1.22593e+01
Coefficient D8.64840e-06
Temperature range, min.187.35
Temperature range, max.554.50
Pvap 1.01e-04 kPa 187.35 Calculated Property
Pvap 0.02 kPa 228.14 Calculated Property
Pvap 0.71 kPa 268.94 Calculated Property
Pvap 7.75 kPa 309.73 Calculated Property
Pvap 43.47 kPa 350.53 Calculated Property
Pvap 158.35 kPa 391.32 Calculated Property
Pvap 433.02 kPa 432.12 Calculated Property
Pvap 974.69 kPa 472.91 Calculated Property
Pvap 1919.85 kPa 513.71 Calculated Property
Pvap 3451.09 kPa 554.50 Calculated Property

Similar Compounds

Butanoic acid, ethyl ester. ethyl butanoate-d3. Methyl valerate. Pentanedioic acid, dimethyl ester. Butanoic acid, anhydride. Butanoic acid, 2-propynyl ester. Succinaldehydic acid, methyl ester. Vinyl butyrate. 2,2,2-Trifluoroethylbutyrate. Butanoic acid, 4-chloro-, methyl ester. 2,2,2-Trichloroethyl butanoate. propyl butanoate-d3. Butanoic acid, propyl ester. Hexanoic acid, methyl ester. Ethylene glycol di-n-butyrate.

Find more compounds similar to Butanoic acid, methyl ester.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.