Chemical Properties of Propanoic acid, 2-methyl- (CAS 79-31-2)

Propanoic acid, 2-methyl-

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InChI
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChI Key
KQNPFQTWMSNSAP-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CC(C)C(=O)O
Molecular Weight1
88.11
CAS
79-31-2
Other Names
  • .alpha.-methylpropionic acid
  • 2-METHYL-PROPANOIC ACID
  • 2-Methylpropanoic acid
  • 2-Methylpropionic acid
  • 2-Propanecarboxylic acid
  • ALPHA-METHYLPROPIONIC ACID
  • Acetic acid, dimethyl-
  • Cenex RP b2
  • Dimethylacetic acid
  • Isobutanoic acid
  • Isobutyric acid
  • Isopropylformic acid
  • Kyselina isomaselna
  • Methylpropanoic acid
  • Methylpropionic acid
  • NSC 62780
  • Propionic acid, 2-methyl-
  • Tenox IBP 2
  • UN 2529
  • i-Butyric acid
  • iso-C3H7COOH
  • «alpha»-Methylpropanoic acid
  • «alpha»-Methylpropionic acid
  • «alpha»-Methylpropanoic acid
  • «alpha»-Methylpropionic acid
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Physical Properties

Property Value Unit Source
ω 0.6230 KDB
μ 1.30 debye KDB
Δf -285.38 kJ/mol Joback Calculated Property
Δfgas -484.20 kJ/mol KDB
Δfus 8.28 kJ/mol Joback Calculated Property
Δvap [53.00; 56.30] kJ/mol Show Hide
Δvap 56.30 kJ/mol NIST
Δvap 55.50 ± 0.30 kJ/mol NIST
Δvap 53.00 kJ/mol NIST
Δvap 53.40 ± 3.00 kJ/mol NIST
Δvap 53.00 ± 4.00 kJ/mol NIST
IE [10.02; 10.33] eV Show Hide
IE 10.24 ± 0.12 eV NIST
IE 10.12 eV NIST
IE 10.33 ± 0.01 eV NIST
IE 10.33 eV NIST
IE 10.33 ± 0.03 eV NIST
IE 10.02 ± 0.05 eV NIST
IE 10.30 eV NIST
log10WS 0.28 Aq. Sol...
logPoct/wat 0.727 Crippen Calculated Property
McVol 74.660 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc [3700.00; 3700.00] kPa Show Hide
Pc 3700.00 kPa KDB
Pc 3700.00 ± 25.00 kPa NIST
Inp [723.00; 803.90]   Show Hide
Inp 792.00 NIST
Inp 785.00 NIST
Inp 790.00 NIST
Inp 793.00 NIST
Inp 765.00 NIST
Inp 732.00 NIST
Inp 723.00 NIST
Inp 738.00 NIST
Inp 752.00 NIST
Inp 793.00 NIST
Inp 789.00 NIST
Inp 774.00 NIST
Inp 779.00 NIST
Inp 758.00 NIST
Inp 753.00 NIST
Inp 738.00 NIST
Inp 758.00 NIST
Inp 744.00 NIST
Inp 803.90 NIST
Inp 797.00 NIST
Inp 775.00 NIST
Inp 790.00 NIST
Inp 790.00 NIST
Inp 793.00 NIST
Inp 793.00 NIST
Inp 780.00 NIST
Inp 741.00 NIST
Inp 739.00 NIST
Inp 775.00 NIST
Inp 775.00 NIST
Inp 796.00 NIST
Inp 753.00 NIST
Inp 723.00 NIST
Inp 758.00 NIST
Inp 731.00 NIST
Inp 731.00 NIST
Inp 757.00 NIST
Inp 757.00 NIST
Inp 756.00 NIST
Inp 744.00 NIST
Inp 790.00 NIST
Inp 767.00 NIST
Inp 770.00 NIST
Inp 765.00 NIST
Inp 758.00 NIST
Inp 774.00 NIST
Inp 758.00 NIST
Inp 790.00 NIST
Inp 741.00 NIST
Inp 753.00 NIST
I [1520.00; 1618.00]   Show Hide
I 1574.00 NIST
I 1581.00 NIST
I 1584.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1585.00 NIST
I 1539.00 NIST
I 1554.00 NIST
I 1588.00 NIST
I 1587.00 NIST
I 1549.00 NIST
I 1588.00 NIST
I 1579.00 NIST
I 1585.00 NIST
I Outlier 1520.00 NIST
I 1572.00 NIST
I 1580.00 NIST
I 1556.00 NIST
I 1555.00 NIST
I Outlier 1520.00 NIST
I 1547.00 NIST
I 1571.00 NIST
I 1556.00 NIST
I 1556.00 NIST
I 1549.00 NIST
I 1573.00 NIST
I 1575.00 NIST
I 1576.00 NIST
I 1564.00 NIST
I 1575.00 NIST
I 1576.00 NIST
I 1575.00 NIST
I 1567.00 NIST
I 1574.00 NIST
I 1571.00 NIST
I 1558.00 NIST
I 1584.00 NIST
I 1584.00 NIST
I 1595.00 NIST
I 1556.00 NIST
I 1584.00 NIST
I Outlier 1608.00 NIST
I 1553.00 NIST
I 1562.00 NIST
I 1570.00 NIST
I 1571.00 NIST
I 1565.00 NIST
I 1548.00 NIST
I 1578.00 NIST
I 1586.00 NIST
I 1552.00 NIST
I 1546.00 NIST
I 1579.00 NIST
I 1585.00 NIST
I 1570.00 NIST
I 1572.00 NIST
I 1552.00 NIST
I 1555.00 NIST
I 1555.00 NIST
I 1585.00 NIST
I 1561.00 NIST
I 1553.00 NIST
I 1572.00 NIST
I 1569.00 NIST
I 1592.00 NIST
I 1571.00 NIST
I 1575.00 NIST
I 1579.00 NIST
I 1585.00 NIST
I 1579.00 NIST
I 1588.00 NIST
I 1584.00 NIST
I 1583.00 NIST
I 1557.00 NIST
I 1588.00 NIST
I 1555.00 NIST
I 1570.00 NIST
I 1571.00 NIST
I 1565.00 NIST
I 1586.00 NIST
I 1588.00 NIST
I 1535.00 NIST
I 1535.00 NIST
I 1554.00 NIST
I 1584.00 NIST
I 1584.00 NIST
I 1535.00 NIST
I 1565.00 NIST
I 1565.00 NIST
I Outlier 1524.00 NIST
I 1535.00 NIST
I 1568.00 NIST
I 1560.00 NIST
I 1587.00 NIST
I 1551.00 NIST
I 1553.00 NIST
I 1561.00 NIST
I 1576.00 NIST
I 1578.00 NIST
I 1535.00 NIST
I 1579.00 NIST
I 1560.00 NIST
I 1570.00 NIST
I 1555.00 NIST
I 1560.00 NIST
I 1570.00 NIST
I 1600.00 NIST
I 1566.00 NIST
I 1568.00 NIST
I 1573.00 NIST
I 1566.00 NIST
I Outlier 1533.00 NIST
I 1577.00 NIST
I 1564.00 NIST
I 1570.00 NIST
I 1571.00 NIST
I 1538.00 NIST
I Outlier 1618.00 NIST
I 1563.00 NIST
I 1568.00 NIST
I 1597.00 NIST
I 1566.00 NIST
I 1568.00 NIST
I 1549.00 NIST
I 1571.00 NIST
I 1594.00 NIST
I 1565.00 NIST
I 1590.00 NIST
I 1563.00 NIST
I 1569.00 NIST
I 1591.00 NIST
I 1560.00 NIST
I 1570.00 NIST
I 1557.00 NIST
I 1561.00 NIST
I 1574.00 NIST
I 1581.00 NIST
I 1539.00 NIST
I 1588.00 NIST
I 1580.00 NIST
I 1571.00 NIST
I 1575.00 NIST
I 1558.00 NIST
I 1584.00 NIST
Tboil 427.60 K KDB
Tc [605.00; 609.40] K Show Hide
Tc 605.00 K KDB
Tc 605.00 ± 1.50 K NIST
Tc 609.40 ± 6.00 K NIST
Tfus [225.25; 228.15] K Show Hide
Tfus 226.90 K Aq. Sol...
Tfus 227.00 K KDB
Tfus 227.05 ± 0.20 K NIST
Tfus 227.20 ± 0.60 K NIST
Tfus 227.05 ± 0.50 K NIST
Tfus 227.00 ± 2.00 K NIST
Tfus 227.15 ± 0.40 K NIST
Tfus Outlier 225.25 ± 0.40 K NIST
Tfus 228.15 ± 2.00 K NIST
Vc 0.292 m3/kmol KDB
Zc 0.2147790 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [146.25; 183.06] J/mol×K [436.53; 614.26] Show Hide
Cp,gas 146.25 J/mol×K 436.53 Joback Calculated Property
Cp,gas 153.06 J/mol×K 466.15 Joback Calculated Property
Cp,gas 159.59 J/mol×K 495.77 Joback Calculated Property
Cp,gas 165.85 J/mol×K 525.39 Joback Calculated Property
Cp,gas 171.84 J/mol×K 555.02 Joback Calculated Property
Cp,gas 177.58 J/mol×K 584.64 Joback Calculated Property
Cp,gas 183.06 J/mol×K 614.26 Joback Calculated Property
Cp,liquid [171.10; 181.70] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 171.10 J/mol×K 298.00 NIST
Cp,liquid 181.70 J/mol×K 298.15 NIST
Cp,liquid 173.00 J/mol×K 298.15 NIST
η [0.0002698; 0.0663519] Pa×s [230.59; 436.53] Show Hide
η 0.0663519 Pa×s 230.59 Joback Calculated Property
η 0.0146308 Pa×s 264.91 Joback Calculated Property
η 0.0045636 Pa×s 299.24 Joback Calculated Property
η 0.0018091 Pa×s 333.56 Joback Calculated Property
η 0.0008524 Pa×s 367.88 Joback Calculated Property
η 0.0004566 Pa×s 402.21 Joback Calculated Property
η 0.0002698 Pa×s 436.53 Joback Calculated Property
ΔvapH [45.40; 55.80] kJ/mol [235.50; 495.00] Show Hide
ΔvapH 53.00 ± 3.00 kJ/mol 235.50 NIST
ΔvapH 55.80 ± 0.30 kJ/mol 293.00 NIST
ΔvapH 50.90 kJ/mol 358.00 NIST
ΔvapH 51.60 kJ/mol 394.50 NIST
ΔvapH 50.50 kJ/mol 400.50 NIST
ΔvapH 45.40 kJ/mol 495.00 NIST
Pvap [14.55; 100.59] kPa [375.21; 426.16] Show Hide
Pvap 14.55 kPa 375.21 Subatmo...
Pvap 19.58 kPa 382.14 Subatmo...
Pvap 29.65 kPa 391.77 Subatmo...
Pvap 39.72 kPa 399.43 Subatmo...
Pvap 49.79 kPa 405.44 Subatmo...
Pvap 59.85 kPa 410.75 Subatmo...
Pvap 69.92 kPa 415.51 Subatmo...
Pvap 79.99 kPa 419.77 Subatmo...
Pvap 90.07 kPa 423.36 Subatmo...
Pvap 95.10 kPa 424.86 Subatmo...
Pvap 100.59 kPa 426.16 Subatmo...
n0 [1.38930; 1.39330]   [293.15; 303.15] Show Hide
n0 1.39330 293.15 Vapour ...
n0 1.39310 293.15 Vapour-...
n0 1.38930 303.15 Liquid ...
n0 1.38930 303.15 Phase e...
n0 1.39130 303.15 (Liquid...
ρl [927.96; 968.00] kg/m3 [293.00; 313.15] Show Hide
ρl 968.00 kg/m3 293.00 KDB
ρl 948.23 kg/m3 293.15 Density...
ρl 941.63 kg/m3 298.15 Tie-Lin...
ρl 943.19 kg/m3 298.15 Density...
ρl 941.63 kg/m3 298.20 Phase e...
ρl 938.12 kg/m3 303.15 Density...
ρl 933.05 kg/m3 308.15 Density...
ρl 927.96 kg/m3 313.15 Density...
csound,fluid [1015.20; 1100.20] m/s [295.15; 313.15] Show Hide
csound,fluid 1100.20 m/s 295.15 Density...
csound,fluid 1086.00 m/s 298.15 Density...
csound,fluid 1072.10 m/s 301.15 Density...
csound,fluid 1058.20 m/s 304.15 Density...
csound,fluid 1043.40 m/s 307.15 Density...
csound,fluid 1030.80 m/s 310.15 Density...
csound,fluid 1015.20 m/s 313.15 Density...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [325.47; 451.21] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55638e+01
Coefficient B-3.91998e+03
Coefficient C-6.88650e+01
Temperature range, min.325.47
Temperature range, max.451.21
Pvap 1.33 kPa 325.47 Calculated Property
Pvap 2.93 kPa 339.44 Calculated Property
Pvap 5.98 kPa 353.41 Calculated Property
Pvap 11.39 kPa 367.38 Calculated Property
Pvap 20.48 kPa 381.35 Calculated Property
Pvap 35.03 kPa 395.33 Calculated Property
Pvap 57.35 kPa 409.30 Calculated Property
Pvap 90.29 kPa 423.27 Calculated Property
Pvap 137.35 kPa 437.24 Calculated Property
Pvap 202.63 kPa 451.21 Calculated Property
Pvap [2.85e-04; 3728.78] kPa [227.15; 609.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.66544e+01
Coefficient B-6.77334e+03
Coefficient C-8.78498e-01
Coefficient D-4.52289e-06
Temperature range, min.227.15
Temperature range, max.609.15
Pvap 2.85e-04 kPa 227.15 Calculated Property
Pvap 0.02 kPa 269.59 Calculated Property
Pvap 0.58 kPa 312.04 Calculated Property
Pvap 6.18 kPa 354.48 Calculated Property
Pvap 37.36 kPa 396.93 Calculated Property
Pvap 151.32 kPa 439.37 Calculated Property
Pvap 454.66 kPa 481.82 Calculated Property
Pvap 1086.14 kPa 524.26 Calculated Property
Pvap 2165.08 kPa 566.71 Calculated Property
Pvap 3728.78 kPa 609.15 Calculated Property

Similar Compounds

iPrCO2 anion. Methylmalonic acid. Methyl isobutyrate. Propanoic acid, 2,2-dimethyl-. Propanoic acid, 2-methyl-, anhydride. Cyclopropanecarboxylic acid. Propanoic acid, 3-bromo-2-(bromomethyl)-. 1-Propanol, 2-methyl-. Butanoic acid, 2-methyl-. Butanoic acid, 2-methyl-, (2S)-. Butanoic acid, 2-methyl-. 2,3-methylbutanoic acid. Isobutyric acid, vinyl ester. «alpha»-Bromoisobutyric acid. Isobutyric acid, tert-butyl ester.

Find more compounds similar to Propanoic acid, 2-methyl-.

Mixtures

Sources

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

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