Chemical Properties of Butanoic acid, 2-methyl-, ethyl ester (CAS 7452-79-1)

Butanoic acid, 2-methyl-, ethyl ester

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InChI
InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
InChI Key
HCRBXQFHJMCTLF-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCOC(=O)C(C)CC
Molecular Weight1
130.18
CAS
7452-79-1
Other Names
  • 2-Methylbutanoic acid ethyl ester
  • Butyric acid, 2-methyl-, ethyl ester
  • Ethyl «alpha»-methylbutyrate
  • NSC 1103
  • ethyl 2-methylbutanoate
  • ethyl 2-methylbutyrate
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Physical Properties

Property Value Unit Source
Δcliquid [-4195.00; -4188.60] kJ/mol Show Hide
Δcliquid -4195.00 ± 1.30 kJ/mol NIST
Δcliquid -4188.60 ± 8.40 kJ/mol NIST
Δf -228.30 kJ/mol Joback Calculated Property
Δfgas [-522.60; -516.10] kJ/mol Show Hide
Δfgas -516.10 ± 1.40 kJ/mol NIST
Δfgas -522.60 ± 8.80 kJ/mol NIST
Δfliquid -560.40 ± 1.40 kJ/mol NIST
Δfus 13.15 kJ/mol Joback Calculated Property
Δvap [44.00; 64.70] kJ/mol Show Hide
Δvap 44.30 ± 0.30 kJ/mol NIST
Δvap 44.30 kJ/mol NIST
Δvap 64.70 kJ/mol NIST
Δvap 44.00 ± 1.00 kJ/mol NIST
log10WS -1.37 Crippen Calculated Property
logPoct/wat 1.596 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Inp [816.00; 895.00]   Show Hide
Inp 834.00 NIST
Inp 833.00 NIST
Inp 837.00 NIST
Inp 843.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 841.00 NIST
Inp 842.00 NIST
Inp 844.00 NIST
Inp 851.00 NIST
Inp Outlier 893.00 NIST
Inp Outlier 895.00 NIST
Inp 848.00 NIST
Inp 840.00 NIST
Inp 850.00 NIST
Inp 854.00 NIST
Inp 847.00 NIST
Inp 835.00 NIST
Inp Outlier 895.00 NIST
Inp 849.00 NIST
Inp 850.00 NIST
Inp 850.00 NIST
Inp 842.00 NIST
Inp 847.00 NIST
Inp 846.00 NIST
Inp 851.00 NIST
Inp 841.00 NIST
Inp 846.00 NIST
Inp 850.00 NIST
Inp 829.00 NIST
Inp 848.00 NIST
Inp Outlier 870.00 NIST
Inp 850.00 NIST
Inp 843.00 NIST
Inp 843.00 NIST
Inp 845.00 NIST
Inp 850.00 NIST
Inp 859.00 NIST
Inp 848.00 NIST
Inp 849.00 NIST
Inp 848.00 NIST
Inp 854.00 NIST
Inp 846.00 NIST
Inp 832.00 NIST
Inp 848.00 NIST
Inp 857.00 NIST
Inp 857.00 NIST
Inp 845.00 NIST
Inp 846.00 NIST
Inp 848.00 NIST
Inp 848.00 NIST
Inp 855.00 NIST
Inp 855.00 NIST
Inp 843.00 NIST
Inp 843.00 NIST
Inp 851.00 NIST
Inp 853.00 NIST
Inp 846.00 NIST
Inp 852.00 NIST
Inp 841.00 NIST
Inp 837.00 NIST
Inp 854.00 NIST
Inp 849.00 NIST
Inp 830.00 NIST
Inp 849.00 NIST
Inp 850.00 NIST
Inp 849.00 NIST
Inp 856.40 NIST
Inp 857.00 NIST
Inp 845.00 NIST
Inp 861.00 NIST
Inp 850.00 NIST
Inp Outlier 819.00 NIST
Inp Outlier 816.00 NIST
Inp 840.00 NIST
Inp 842.00 NIST
Inp 864.00 NIST
Inp 848.00 NIST
Inp 850.00 NIST
Inp 849.00 NIST
Inp 860.00 NIST
Inp 851.00 NIST
Inp 837.00 NIST
Inp 837.00 NIST
Inp 835.00 NIST
Inp 837.00 NIST
Inp 836.00 NIST
Inp 844.00 NIST
Inp 839.00 NIST
Inp 849.00 NIST
Inp 845.00 NIST
Inp 835.00 NIST
Inp 837.00 NIST
Inp 837.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 836.00 NIST
Inp 845.00 NIST
Inp 837.00 NIST
Inp 848.00 NIST
Inp 851.00 NIST
Inp 859.00 NIST
Inp 856.00 NIST
Inp 860.00 NIST
Inp 846.00 NIST
Inp 846.00 NIST
Inp 837.00 NIST
Inp 849.00 NIST
Inp 845.00 NIST
Inp 860.00 NIST
Inp 850.00 NIST
Inp 833.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 851.00 NIST
Inp 827.00 NIST
Inp 848.00 NIST
Inp 849.00 NIST
Inp 846.00 NIST
Inp Outlier 820.00 NIST
Inp 857.00 NIST
Inp 851.00 NIST
Inp 837.00 NIST
Inp 848.00 NIST
Inp 852.00 NIST
Inp 827.00 NIST
Inp 839.00 NIST
Inp 846.00 NIST
Inp 849.00 NIST
Inp 843.00 NIST
Inp 845.00 NIST
Inp 835.00 NIST
Inp 835.00 NIST
Inp 840.00 NIST
Inp 846.00 NIST
Inp 845.00 NIST
Inp 838.00 NIST
Inp 846.00 NIST
Inp 857.00 NIST
Inp 853.00 NIST
Inp 853.00 NIST
Inp 860.00 NIST
Inp 848.00 NIST
Inp 842.00 NIST
Inp 835.00 NIST
Inp 836.00 NIST
Inp 845.00 NIST
Inp 851.00 NIST
Inp 849.00 NIST
Inp 849.00 NIST
Inp 852.00 NIST
Inp 854.00 NIST
Inp 856.00 NIST
Inp 857.00 NIST
Inp 837.00 NIST
Inp Outlier 893.00 NIST
Inp 854.00 NIST
Inp 850.00 NIST
Inp 851.00 NIST
Inp 848.00 NIST
Inp 845.00 NIST
Inp 846.00 NIST
Inp 860.00 NIST
Inp Outlier 820.00 NIST
Inp 852.00 NIST
Inp 843.00 NIST
Inp 853.00 NIST
Inp 835.00 NIST
Inp 849.00 NIST
Inp 837.00 NIST
Inp 857.00 NIST
Inp 855.00 NIST
Inp 841.00 NIST
Inp 834.00 NIST
I [1015.00; 1097.00]   Show Hide
I 1053.00 NIST
I 1063.00 NIST
I 1073.00 NIST
I 1064.00 NIST
I 1062.00 NIST
I 1040.00 NIST
I 1031.00 NIST
I 1034.00 NIST
I 1057.00 NIST
I 1055.00 NIST
I 1073.00 NIST
I 1048.00 NIST
I 1056.00 NIST
I 1073.00 NIST
I 1041.00 NIST
I 1043.00 NIST
I 1038.00 NIST
I 1063.00 NIST
I 1065.00 NIST
I 1073.00 NIST
I 1057.00 NIST
I 1052.00 NIST
I 1055.00 NIST
I 1066.00 NIST
I 1062.00 NIST
I Outlier 1083.00 NIST
I 1052.00 NIST
I Outlier 1022.00 NIST
I 1036.00 NIST
I 1037.00 NIST
I 1050.00 NIST
I 1069.00 NIST
I 1048.00 NIST
I 1040.00 NIST
I 1055.20 NIST
I 1055.00 NIST
I 1055.00 NIST
I 1051.00 NIST
I 1048.00 NIST
I 1069.00 NIST
I 1051.00 NIST
I 1047.00 NIST
I 1049.00 NIST
I 1043.00 NIST
I 1043.00 NIST
I 1070.00 NIST
I 1045.00 NIST
I 1051.00 NIST
I 1070.00 NIST
I 1041.00 NIST
I 1035.00 NIST
I 1052.00 NIST
I 1053.00 NIST
I 1052.00 NIST
I 1053.00 NIST
I 1042.00 NIST
I 1043.00 NIST
I 1040.00 NIST
I 1045.00 NIST
I 1053.00 NIST
I 1049.00 NIST
I 1040.00 NIST
I 1046.00 NIST
I 1053.00 NIST
I Outlier 1028.00 NIST
I 1058.00 NIST
I 1055.00 NIST
I 1037.00 NIST
I 1045.00 NIST
I 1045.00 NIST
I Outlier 1028.00 NIST
I 1041.00 NIST
I 1062.00 NIST
I 1060.00 NIST
I 1074.00 NIST
I 1063.00 NIST
I 1050.00 NIST
I 1055.00 NIST
I 1047.00 NIST
I 1052.00 NIST
I 1051.00 NIST
I 1042.00 NIST
I 1052.00 NIST
I 1055.00 NIST
I 1045.00 NIST
I 1056.00 NIST
I 1044.00 NIST
I Outlier 1077.00 NIST
I 1036.00 NIST
I 1048.00 NIST
I 1049.00 NIST
I 1057.00 NIST
I 1061.00 NIST
I 1041.00 NIST
I 1061.00 NIST
I 1061.00 NIST
I 1041.00 NIST
I 1041.00 NIST
I 1033.00 NIST
I 1048.00 NIST
I 1066.00 NIST
I 1050.00 NIST
I 1049.00 NIST
I 1048.00 NIST
I 1051.00 NIST
I 1050.00 NIST
I 1058.00 NIST
I 1050.00 NIST
I 1058.00 NIST
I 1055.00 NIST
I 1054.00 NIST
I 1048.00 NIST
I 1062.00 NIST
I 1050.00 NIST
I 1063.00 NIST
I 1050.00 NIST
I Outlier 1015.00 NIST
I 1038.00 NIST
I 1038.00 NIST
I 1067.00 NIST
I 1031.00 NIST
I Outlier 1097.00 NIST
I 1047.00 NIST
I 1055.00 NIST
I 1053.00 NIST
I 1059.00 NIST
I 1040.00 NIST
I 1059.00 NIST
I 1038.00 NIST
I 1055.00 NIST
I 1059.00 NIST
I 1045.00 NIST
I 1054.00 NIST
I 1048.00 NIST
I 1041.00 NIST
I 1055.00 NIST
I 1059.00 NIST
I 1050.00 NIST
I 1049.00 NIST
I 1059.00 NIST
I 1057.00 NIST
I 1051.00 NIST
I 1041.00 NIST
I 1063.00 NIST
I 1061.00 NIST
I 1061.00 NIST
I 1061.00 NIST
I 1037.00 NIST
I 1046.00 NIST
I 1055.00 NIST
I 1055.00 NIST
I 1045.00 NIST
I 1049.00 NIST
I 1058.00 NIST
I Outlier 1028.00 NIST
I 1063.00 NIST
I 1051.00 NIST
I 1056.00 NIST
I 1061.00 NIST
I 1066.00 NIST
I 1050.00 NIST
I 1053.00 NIST
I 1057.00 NIST
Tboil [405.60; 406.20] K Show Hide
Tboil 405.60 K Vapor p...
Tboil 406.20 K NIST
Tboil 406.05 ± 0.40 K NIST
Tc 615.76 K Joback Calculated Property
Tfus 225.81 K Joback Calculated Property
Vc 0.446 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [238.73; 301.45] J/mol×K [435.41; 615.76] Show Hide
Cp,gas 238.73 J/mol×K 435.41 Joback Calculated Property
Cp,gas 250.17 J/mol×K 465.47 Joback Calculated Property
Cp,gas 261.22 J/mol×K 495.53 Joback Calculated Property
Cp,gas 271.87 J/mol×K 525.58 Joback Calculated Property
Cp,gas 282.12 J/mol×K 555.64 Joback Calculated Property
Cp,gas 291.98 J/mol×K 585.70 Joback Calculated Property
Cp,gas 301.45 J/mol×K 615.76 Joback Calculated Property
Cp,liquid 327.40 J/mol×K 298.15 NIST
η [0.0004520; 0.0008310] Pa×s [293.15; 343.15] Show Hide
η 0.0008310 Pa×s 293.15 Density...
η 0.0008310 Pa×s 293.15 Density...
η 0.0007740 Pa×s 298.15 Density...
η 0.0007230 Pa×s 303.15 Density...
η 0.0007230 Pa×s 303.15 Density...
η 0.0006770 Pa×s 308.15 Density...
η 0.0006350 Pa×s 313.15 Density...
η 0.0006350 Pa×s 313.15 Density...
η 0.0005970 Pa×s 318.15 Density...
η 0.0005630 Pa×s 323.15 Density...
η 0.0005320 Pa×s 328.15 Density...
η 0.0005030 Pa×s 333.15 Density...
η 0.0004760 Pa×s 338.15 Density...
η 0.0004520 Pa×s 343.15 Density...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [362.10; 429.90] K [24.50; 190.00] Show Hide
Tboil 362.10 K 24.50 Vapor p...
Tboil 371.20 K 34.00 Vapor p...
Tboil 378.30 K 43.50 Vapor p...
Tboil 384.20 K 53.00 Vapor p...
Tboil 389.50 K 62.50 Vapor p...
Tboil 394.00 K 72.00 Vapor p...
Tboil 397.90 K 81.50 Vapor p...
Tboil 401.80 K 91.00 Vapor p...
Tboil 408.70 K 110.00 Vapor p...
Tboil 411.70 K 119.50 Vapor p...
Tboil 414.50 K 129.00 Vapor p...
Tboil 417.30 K 138.50 Vapor p...
Tboil 420.10 K 148.00 Vapor p...
Tboil 422.50 K 157.50 Vapor p...
Tboil 424.80 K 167.00 Vapor p...
Tboil 427.00 K 176.50 Vapor p...
Tboil 429.10 K 186.00 Vapor p...
Tboil 429.90 K 190.00 Vapor p...

Similar Compounds

ethyl 2-methylbutanoate-d-3. ethyl 2-methylbutanoate-d-9. (2S)-2-methyl-ethyl ester-butanoic acid. 2-Ethyl-n-butyric acid ethyl ester. Butanoic acid, 2-methyl-, propyl ester. propyl 2-methylbutanoate-d-9. propyl 2-methylbutanoate-d-3. Butanoic acid, 2-methyl-, 1-methylethyl ester. Butanoic acid, 2-methyl-, methyl ester. Butanoic acid, 2-methyl-, methyl ester. methyl 2-methylbutanoate-d-9. Butanoic acid, 2,3-dimethyl-, ethyl ester. Pentanoic acid, 2-methyl-, ethyl ester. 2-methylpropyl 2-methylbutanoate-d-3. Butanoic acid, 2-methyl-, 2-methylpropyl ester.

Find more compounds similar to Butanoic acid, 2-methyl-, ethyl ester.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.