Chemical Properties of Propanoic acid, 2-methylpropyl ester (CAS 540-42-1)

Propanoic acid, 2-methylpropyl ester

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InChI
InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key
FZXRXKLUIMKDEL-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCC(=O)OCC(C)C
Molecular Weight1
130.18
CAS
540-42-1
Other Names
  • 2-METHYLPROPYL PROPIONATE
  • 2-Methylpropyl propanoate
  • ISOBUTYL ESTER PRORIONIC ACID
  • ISOBUTYL PROPIONATE
  • Isobutyl ester of propanoic acid
  • Isobutyl propanoate
  • Propionic acid, isobutyl ester
  • UN 2394
  • iso-Butyl n-propionate
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Physical Properties

Property Value Unit Source
Δf -228.30 kJ/mol Joback Calculated Property
Δfgas -437.89 kJ/mol Joback Calculated Property
Δfus 13.15 kJ/mol Joback Calculated Property
Δvap 39.94 kJ/mol Joback Calculated Property
IE 9.94 eV NIST
log10WS -1.37 Crippen Calculated Property
logPoct/wat 1.596 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
Pc 2770.00 kPa KDB
Inp [843.00; 873.00]   Show Hide
Inp 852.80 NIST
Inp 854.00 NIST
Inp 852.00 NIST
Inp 848.00 NIST
Inp 849.00 NIST
Inp 852.00 NIST
Inp 853.00 NIST
Inp 851.00 NIST
Inp 848.00 NIST
Inp 852.00 NIST
Inp 863.00 NIST
Inp 843.00 NIST
Inp 848.00 NIST
Inp 866.00 NIST
Inp 859.00 NIST
Inp Outlier 873.00 NIST
Inp 850.00 NIST
Inp Outlier 873.00 NIST
Inp 868.00 NIST
Inp 865.00 NIST
Inp 848.00 NIST
Inp 852.00 NIST
Inp 853.00 NIST
Inp 852.00 NIST
Inp 851.00 NIST
Inp 852.00 NIST
I [1065.00; 1091.00]   Show Hide
I 1079.00 NIST
I 1079.00 NIST
I 1090.00 NIST
I 1085.00 NIST
I 1083.00 NIST
I 1065.00 NIST
I 1087.00 NIST
I 1069.00 NIST
I 1079.00 NIST
I 1071.00 NIST
I 1079.00 NIST
I 1091.00 NIST
I 1071.00 NIST
I 1091.00 NIST
I 1071.00 NIST
I 1079.00 NIST
I 1091.00 NIST
Tboil [407.65; 410.15] K Show Hide
Tboil 410.00 K KDB
Tboil 410.00 K NIST
Tboil 410.15 ± 1.50 K NIST
Tboil 410.05 ± 1.00 K NIST
Tboil 410.00 ± 0.50 K NIST
Tboil Outlier 407.65 ± 1.00 K NIST
Tboil 409.65 ± 1.00 K NIST
Tc [583.80; 592.00] K Show Hide
Tc 592.00 K KDB
Tc 583.80 ± 1.00 K NIST
Tc 591.90 ± 6.00 K NIST
Tfus [201.70; 201.80] K Show Hide
Tfus 201.70 K KDB
Tfus 201.80 ± 0.40 K NIST
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
η [0.0002542; 0.0047724] Pa×s [225.81; 435.41] Show Hide
η 0.0047724 Pa×s 225.81 Joback Calculated Property
η 0.0021099 Pa×s 260.74 Joback Calculated Property
η 0.0011312 Pa×s 295.68 Joback Calculated Property
η 0.0006919 Pa×s 330.61 Joback Calculated Property
η 0.0004649 Pa×s 365.54 Joback Calculated Property
η 0.0003348 Pa×s 400.48 Joback Calculated Property
η 0.0002542 Pa×s 435.41 Joback Calculated Property
ΔvapH 44.90 kJ/mol 340.50 NIST
ρl 888.00 kg/m3 273.00 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 339.70 K 8.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [306.42; 435.07] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51174e+01
Coefficient B-3.72389e+03
Coefficient C-5.53110e+01
Temperature range, min.306.42
Temperature range, max.435.07
Pvap 1.33 kPa 306.42 Calculated Property
Pvap 2.96 kPa 320.71 Calculated Property
Pvap 6.07 kPa 335.01 Calculated Property
Pvap 11.60 kPa 349.30 Calculated Property
Pvap 20.86 kPa 363.60 Calculated Property
Pvap 35.63 kPa 377.89 Calculated Property
Pvap 58.16 kPa 392.19 Calculated Property
Pvap 91.21 kPa 406.48 Calculated Property
Pvap 138.09 kPa 420.78 Calculated Property
Pvap 202.64 kPa 435.07 Calculated Property
Pvap [0.14; 2390.81] kPa [271.15; 583.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.74201e+01
Coefficient B-7.80755e+03
Coefficient C-9.10012e+00
Coefficient D5.00929e-06
Temperature range, min.271.15
Temperature range, max.583.00
Pvap 0.14 kPa 271.15 Calculated Property
Pvap 1.32 kPa 305.80 Calculated Property
Pvap 7.47 kPa 340.45 Calculated Property
Pvap 29.14 kPa 375.10 Calculated Property
Pvap 86.88 kPa 409.75 Calculated Property
Pvap 212.66 kPa 444.40 Calculated Property
Pvap 449.22 kPa 479.05 Calculated Property
Pvap 848.65 kPa 513.70 Calculated Property
Pvap 1472.00 kPa 548.35 Calculated Property
Pvap 2390.81 kPa 583.00 Calculated Property

Similar Compounds

Propanoic acid, 2-methyl-, 2-methylpropyl ester. isobutyl cyanoacetate. Propionic acid, 3-iodo-, isobutyl ester. Isobutyl acetate. Butanedioic acid, bis(2-methylpropyl) ester. 3-Chloropropanoic acid 2-methylpropyl ester. Propanedioic acid, diisobutyl ester. Isobutyl 3-bromopropanoate. Butanoic acid, 2-methylpropyl ester. methylpropyl-d3 butanoate-d3. ethyl isobutyl succinate. Propanoic acid, 2-methyl-, propyl ester. Acetic acid, bromo-, 2-methylpropyl ester. Isobutyl iodoacetate. Propanoic acid, propyl ester.

Find more compounds similar to Propanoic acid, 2-methylpropyl ester.

Sources

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