Chemical Properties of Propanoic acid, 2-methyl-, ethyl ester (CAS 97-62-1)

Propanoic acid, 2-methyl-, ethyl ester

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InChI
InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChI Key
WDAXFOBOLVPGLV-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCOC(=O)C(C)C
Molecular Weight1
116.16
CAS
97-62-1
Other Names
  • 2-Methylpropanoic acid ethyl ester
  • ETHYL 2-METHYLPROPANOATE
  • ETHYL ESTER ISOBUTYRIC ACID
  • Ethyl 2,2-dimethylacetate
  • Ethyl 2-methylpropionate
  • Ethyl ester of 2-methyl-propanoic acid
  • Ethyl isobutanoate
  • Ethyl isobutyrate
  • Ethyl methylpropanoate
  • Ethyl-2-methylproanoate
  • Isobutyric acid, ethyl ester
  • NSC 97194
  • Propionic acid, 2-methyl-, ethyl ester
  • UN 2385
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Physical Properties

Property Value Unit Source
ω 0.4310 KDB
μ 2.10 debye KDB
Δf -236.72 kJ/mol Joback Calculated Property
Δfgas -417.25 kJ/mol Joback Calculated Property
Δfus 10.56 kJ/mol Joback Calculated Property
Δvap [35.60; 39.88] kJ/mol Show Hide
Δvap 39.88 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 35.60 ± 0.04 kJ/mol NIST
log10WS -0.95 Crippen Calculated Property
logPoct/wat 1.205 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc [3053.00; 3070.00] kPa Show Hide
Pc 3070.00 kPa KDB
Pc 3053.00 ± 202.65 kPa NIST
ρc 276.46 ± 8.13 kg/m3 NIST
Inp [721.00; 779.00]   Show Hide
Inp 744.60 NIST
Inp 737.00 NIST
Inp 744.00 NIST
Inp 732.00 NIST
Inp 746.00 NIST
Inp 738.00 NIST
Inp 738.00 NIST
Inp 751.00 NIST
Inp 738.00 NIST
Inp 751.00 NIST
Inp 750.00 NIST
Inp 751.00 NIST
Inp 751.00 NIST
Inp 732.00 NIST
Inp 756.00 NIST
Inp 747.00 NIST
Inp Outlier 723.00 NIST
Inp 756.00 NIST
Inp 755.00 NIST
Inp 756.00 NIST
Inp 756.00 NIST
Inp 774.00 NIST
Inp 762.00 NIST
Inp 765.00 NIST
Inp 763.00 NIST
Inp Outlier 726.00 NIST
Inp 755.70 NIST
Inp 743.00 NIST
Inp 751.00 NIST
Inp 758.00 NIST
Inp 760.00 NIST
Inp 763.00 NIST
Inp 754.00 NIST
Inp Outlier 779.00 NIST
Inp 750.00 NIST
Inp 753.00 NIST
Inp 761.00 NIST
Inp 747.00 NIST
Inp 766.00 NIST
Inp 751.00 NIST
Inp 759.00 NIST
Inp 757.00 NIST
Inp 754.00 NIST
Inp 751.00 NIST
Inp 755.00 NIST
Inp 763.00 NIST
Inp 755.00 NIST
Inp 751.00 NIST
Inp 758.00 NIST
Inp 750.00 NIST
Inp 757.00 NIST
Inp 764.00 NIST
Inp 750.00 NIST
Inp 735.00 NIST
Inp Outlier 776.00 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 758.00 NIST
Inp 754.00 NIST
Inp 756.00 NIST
Inp 766.00 NIST
Inp Outlier 779.00 NIST
Inp 745.00 NIST
Inp 760.00 NIST
Inp 742.00 NIST
Inp 744.00 NIST
Inp 757.00 NIST
Inp 770.00 NIST
Inp 767.00 NIST
Inp 767.00 NIST
Inp 742.00 NIST
Inp 751.00 NIST
Inp 755.00 NIST
Inp 729.00 NIST
Inp 741.00 NIST
Inp 746.00 NIST
Inp 746.00 NIST
Inp 743.00 NIST
Inp 749.00 NIST
Inp 730.00 NIST
Inp 756.00 NIST
Inp 770.00 NIST
Inp 751.00 NIST
Inp 730.00 NIST
Inp 751.00 NIST
Inp Outlier 775.00 NIST
Inp Outlier 727.00 NIST
Inp 752.00 NIST
Inp 752.00 NIST
Inp 755.00 NIST
Inp 754.00 NIST
Inp 751.00 NIST
Inp 761.00 NIST
Inp 732.00 NIST
Inp 732.00 NIST
Inp 755.00 NIST
Inp 751.00 NIST
Inp 752.00 NIST
Inp 751.00 NIST
Inp Outlier 721.00 NIST
Inp 749.00 NIST
Inp 746.00 NIST
Inp 739.00 NIST
Inp 749.00 NIST
Inp Outlier 721.00 NIST
Inp 754.00 NIST
Inp 745.00 NIST
Inp 758.00 NIST
Inp 757.00 NIST
Inp 757.00 NIST
Inp 757.00 NIST
Inp 763.00 NIST
Inp 758.00 NIST
Inp 761.00 NIST
Inp 756.00 NIST
Inp 738.00 NIST
Inp 742.00 NIST
Inp 750.00 NIST
Inp 751.00 NIST
I [929.00; 1007.00]   Show Hide
I 961.00 NIST
I 977.00 NIST
I 975.00 NIST
I Outlier 931.00 NIST
I Outlier 934.00 NIST
I 971.00 NIST
I 965.00 NIST
I 959.00 NIST
I 960.00 NIST
I 965.00 NIST
I 962.00 NIST
I 971.00 NIST
I 961.00 NIST
I 957.00 NIST
I 967.00 NIST
I 955.00 NIST
I Outlier 930.00 NIST
I 968.80 NIST
I 950.00 NIST
I 962.00 NIST
I 960.00 NIST
I 969.00 NIST
I 962.00 NIST
I Outlier 1007.00 NIST
I 944.00 NIST
I 965.00 NIST
I 966.00 NIST
I 955.00 NIST
I 965.00 NIST
I 972.00 NIST
I 955.00 NIST
I 957.00 NIST
I 958.00 NIST
I 964.00 NIST
I 955.00 NIST
I 964.00 NIST
I 974.00 NIST
I 952.00 NIST
I 963.00 NIST
I 962.00 NIST
I 961.00 NIST
I 965.00 NIST
I 961.00 NIST
I 961.00 NIST
I 962.00 NIST
I Outlier 1004.00 NIST
I 962.00 NIST
I 972.00 NIST
I 955.00 NIST
I 963.00 NIST
I 964.00 NIST
I 975.00 NIST
I 961.00 NIST
I 965.00 NIST
I 957.00 NIST
I 965.00 NIST
I 965.00 NIST
I 954.00 NIST
I Outlier 929.00 NIST
I 955.00 NIST
I 984.00 NIST
I 955.00 NIST
I 955.00 NIST
I 984.00 NIST
I 956.00 NIST
I 962.00 NIST
I 966.00 NIST
I 956.00 NIST
I 968.00 NIST
I 956.00 NIST
I 968.00 NIST
I 956.00 NIST
I 968.00 NIST
I 956.00 NIST
I 968.00 NIST
I Outlier 935.00 NIST
I 955.00 NIST
I 960.00 NIST
I 937.00 NIST
I 960.00 NIST
I 969.00 NIST
I 972.00 NIST
I 959.00 NIST
I 973.00 NIST
I 955.00 NIST
I 969.00 NIST
I 975.00 NIST
I 956.00 NIST
I 960.00 NIST
I Outlier 990.00 NIST
I 955.00 NIST
I 961.00 NIST
I 950.00 NIST
I 950.00 NIST
I 958.00 NIST
I 950.00 NIST
Tboil 383.20 K KDB
Tc [553.00; 553.60] K Show Hide
Tc 553.00 K KDB
Tc 553.60 ± 4.00 K NIST
Tfus [175.40; 184.90] K Show Hide
Tfus 184.90 K KDB
Tfus 175.40 ± 0.30 K NIST
Vc 0.421 m3/kmol KDB
Zc 0.2810990 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [199.90; 255.87] J/mol×K [412.53; 594.22] Show Hide
Cp,gas 199.90 J/mol×K 412.53 Joback Calculated Property
Cp,gas 210.06 J/mol×K 442.81 Joback Calculated Property
Cp,gas 219.89 J/mol×K 473.09 Joback Calculated Property
Cp,gas 229.39 J/mol×K 503.38 Joback Calculated Property
Cp,gas 238.55 J/mol×K 533.66 Joback Calculated Property
Cp,gas 247.38 J/mol×K 563.94 Joback Calculated Property
Cp,gas 255.87 J/mol×K 594.22 Joback Calculated Property
η [0.0002624; 0.0046134] Pa×s [214.54; 412.53] Show Hide
η 0.0046134 Pa×s 214.54 Joback Calculated Property
η 0.0020807 Pa×s 247.54 Joback Calculated Property
η 0.0011317 Pa×s 280.54 Joback Calculated Property
η 0.0006998 Pa×s 313.53 Joback Calculated Property
η 0.0004742 Pa×s 346.53 Joback Calculated Property
η 0.0003438 Pa×s 379.53 Joback Calculated Property
η 0.0002624 Pa×s 412.53 Joback Calculated Property
ΔvapH [33.67; 44.10] kJ/mol [321.00; 433.00] Show Hide
ΔvapH 44.10 kJ/mol 321.00 NIST
ΔvapH 33.67 kJ/mol 383.30 NIST
ΔvapH 36.00 kJ/mol 433.00 NIST
ρl [836.05; 869.00] kg/m3 [293.00; 323.15] Show Hide
ρl 869.00 kg/m3 293.00 KDB
ρl 857.92 kg/m3 303.15 Vapor-l...
ρl 836.05 kg/m3 323.15 Vapor-l...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [283.40; 407.85] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48292e+01
Coefficient B-3.42855e+03
Coefficient C-4.76240e+01
Temperature range, min.283.40
Temperature range, max.407.85
Pvap 1.33 kPa 283.40 Calculated Property
Pvap 2.98 kPa 297.23 Calculated Property
Pvap 6.14 kPa 311.06 Calculated Property
Pvap 11.74 kPa 324.88 Calculated Property
Pvap 21.13 kPa 338.71 Calculated Property
Pvap 36.05 kPa 352.54 Calculated Property
Pvap 58.71 kPa 366.37 Calculated Property
Pvap 91.83 kPa 380.19 Calculated Property
Pvap 138.58 kPa 394.02 Calculated Property
Pvap 202.63 kPa 407.85 Calculated Property
Pvap [1.13e-04; 2946.54] kPa [185.00; 553.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A4.61664e+01
Coefficient B-5.99692e+03
Coefficient C-4.38282e+00
Coefficient D1.12312e-06
Temperature range, min.185.00
Temperature range, max.553.15
Pvap 1.13e-04 kPa 185.00 Calculated Property
Pvap 0.02 kPa 225.91 Calculated Property
Pvap 0.49 kPa 266.81 Calculated Property
Pvap 5.34 kPa 307.72 Calculated Property
Pvap 31.32 kPa 348.62 Calculated Property
Pvap 121.29 kPa 389.53 Calculated Property
Pvap 351.18 kPa 430.43 Calculated Property
Pvap 823.84 kPa 471.34 Calculated Property
Pvap 1653.11 kPa 512.24 Calculated Property
Pvap 2946.54 kPa 553.15 Calculated Property

Similar Compounds

Ethanol, 2-bromo, 2-methylpropyl ester. Propanoic acid, 2-methyl, 2-iodoethyl ester. Propanoic acid, 2-methyl-, propyl ester. Ethanol, 2-chloro, 2-methylpropanoate. Propanoic acid, 2-methyl-, 1-methylethyl ester. Ethyl 2-cyanopropionate. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Diethyleneglycol di-isobutyrate. Methyl isobutyrate. Isobutyric acid, 2,2,2-trichloroethyl ester. Ethyl cyclopropanecarboxylate. Propanedioic acid, methyl-, diethyl ester. Propanoic acid, 2,2-dimethyl-, ethyl ester. Propanoic acid, 2-methyl-, 2-propenyl ester. Propanoic acid, ethyl ester.

Find more compounds similar to Propanoic 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.