Chemical Properties of Crotonic acid (CAS 3724-65-0)

Crotonic acid

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InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
InChI Key
LDHQCZJRKDOVOX-UHFFFAOYSA-N
Formula
C4H6O2
SMILES
CC=CC(=O)O
Molecular Weight1
86.09
CAS
3724-65-0
Other Names
  • .alpha.-butenoic acid
  • 2-Butenoic acid
  • 2-butenoic acid (isomer not specified)
  • 3-Methylacrylic acid
  • Acrylic acid, 3-methyl-
  • But-2-enoic acid
  • CH3CH=CHCOOH
  • Kyselina krotonova
  • NSC 206946
  • UN 2823
  • butenoic acid
  • «alpha»-Butenoic acid
  • «alpha»-Crotonic acid
  • «beta»-Methylacrylic acid
  • «alpha»-Butenoic acid
  • «alpha»-Crotonic acid
  • «beta»-Methylacrylic acid
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Physical Properties

Property Value Unit Source
Δcsolid [-1999.00; -1990.80] kJ/mol Show
Δcsolid -1990.80 ± 1.00 kJ/mol NIST
Δcsolid -1999.00 kJ/mol NIST
Δf -202.72 kJ/mol Joback Calculated Property
Δfgas -368.50 ± 1.40 kJ/mol NIST
Δfsolid -440.70 ± 1.30 kJ/mol NIST
Δfus 12.01 kJ/mol Joback Calculated Property
Δsub [72.20; 72.20] kJ/mol Show
Δsub 72.20 ± 0.40 kJ/mol NIST
Δsub 72.20 kJ/mol NIST
Δvap 47.88 kJ/mol Joback Calculated Property
log10WS 9.52e-03 Aq. Sol...
logPoct/wat 0.647 Crippen Calculated Property
McVol 70.360 ml/mol McGowan Calculated Property
Pc 5138.68 kPa Joback Calculated Property
Inp 986.00 NIST
I [1708.00; 1773.00]   Show
I 1708.00 NIST
I 1709.00 NIST
I 1773.00 NIST
I 1773.00 NIST
I 1744.00 NIST
I 1763.00 NIST
I 1744.00 NIST
I 1746.00 NIST
I 1708.00 NIST
Tboil 441.13 K Joback Calculated Property
Tc 623.44 K Joback Calculated Property
Tfus [239.40; 345.00] K Show
Tfus 344.80 K Solubil...
Tfus 239.40 ± 0.60 K NIST
Tfus 345.00 ± 1.50 K NIST
Tfus 341.00 ± 0.20 K NIST
Vc 0.265 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [129.47; 161.26] J/mol×K [441.13; 623.44] Show
T(K)
Ideal gas heat capacity (J/mol×K)
130
135
140
145
150
155
160
450
500
550
600
Cp,gas 129.47 J/mol×K 441.13 Joback Calculated Property
Cp,gas 135.50 J/mol×K 471.51 Joback Calculated Property
Cp,gas 141.22 J/mol×K 501.90 Joback Calculated Property
Cp,gas 146.65 J/mol×K 532.28 Joback Calculated Property
Cp,gas 151.79 J/mol×K 562.67 Joback Calculated Property
Cp,gas 156.65 J/mol×K 593.05 Joback Calculated Property
Cp,gas 161.26 J/mol×K 623.44 Joback Calculated Property
η [0.0002256; 0.0325411] Pa×s [240.51; 441.13] Show
T(K)
Dynamic viscosity (Pa×s)
0
5.00e-3
0.01
0.02
0.02
0.03
0.03
0.04
250
300
350
400
η 0.0325411 Pa×s 240.51 Joback Calculated Property
η 0.0085700 Pa×s 273.95 Joback Calculated Property
η 0.0030171 Pa×s 307.38 Joback Calculated Property
η 0.0013037 Pa×s 340.82 Joback Calculated Property
η 0.0006544 Pa×s 374.26 Joback Calculated Property
η 0.0003678 Pa×s 407.69 Joback Calculated Property
η 0.0002256 Pa×s 441.13 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 397.19] kPa [350.12; 486.29] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.77424e+01
Coefficient B-4.90563e+03
Coefficient C-6.90720e+01
Temperature range, min.350.12
Temperature range, max.486.29
T(K)
Vapor pressure (kPa)
0
50
100
150
200
250
300
350
400
350
400
450
Pvap 1.33 kPa 350.12 Calculated Property
Pvap 3.25 kPa 365.25 Calculated Property
Pvap 7.27 kPa 380.38 Calculated Property
Pvap 15.10 kPa 395.51 Calculated Property
Pvap 29.38 kPa 410.64 Calculated Property
Pvap 54.03 kPa 425.77 Calculated Property
Pvap 94.55 kPa 440.90 Calculated Property
Pvap 158.37 kPa 456.03 Calculated Property
Pvap 255.18 kPa 471.16 Calculated Property
Pvap 397.19 kPa 486.29 Calculated Property

Similar Compounds

2-Butenoic acid, isomer # 1. 2-Butenoic acid, (E)-. Isocrotonic acid. Sorbic Acid. 2-Butenoic acid, methyl ester. 2-Butenoic acid, methyl ester, (Z)-. 2-Butenoic acid, methyl ester, (E)-. Methyl (E)-2-butenoate. Maleic acid. Fumaric Acid. (2E)-2-butenedioic acid. cis-3-Chloro-2-butenoic acid. 2-Butenoic acid, 3-methyl-. 2-Pentenoic acid. trans-2-Pentenoic acid.

Find more compounds similar to Crotonic acid.

Mixtures

Sources

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