Chemical Properties of Propanoic acid, 2,2-dimethyl- (CAS 75-98-9)

Propanoic acid, 2,2-dimethyl-

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InChI
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChI Key
IUGYQRQAERSCNH-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(C)(C)C(=O)O
Molecular Weight1
102.13
CAS
75-98-9
Other Names
  • 2,2-Dimethylpropanoic acid
  • 2,2-Dimethylpropionic acid
  • Acetic acid, trimethyl-
  • DIMETHYLPROPIONIC ACID
  • Kyselina 2,2-dimethylpropionova
  • Kyselina pivalova
  • NEOPENTANOIC ACID
  • NSC 65449
  • Neovaleric acid
  • PIVALIC ACID
  • Propionic acid, 2,2-dimethyl-
  • TERT-PENTANOIC ACID
  • Trimethylacetic acid
  • Versatic 5
  • tert-C4H9COOH
  • «alpha»,«alpha»-Dimethylpropionic acid
  • «alpha»,«alpha»-Dimethylpropionic acid
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Physical Properties

Property Value Unit Source
Δcsolid -2832.10 ± 5.90 kJ/mol NIST
Δf -271.68 kJ/mol Joback Calculated Property
Δfgas -420.09 kJ/mol Joback Calculated Property
Δfsolid -564.50 ± 5.90 kJ/mol NIST
Δfus 6.98 kJ/mol Joback Calculated Property
Δsub 73.20 ± 3.00 kJ/mol NIST
Δvap 48.85 kJ/mol Joback Calculated Property
IE [10.08; 10.30] eV Show Hide
IE 10.08 eV NIST
IE 10.30 eV NIST
log10WS -0.77 Crippen Calculated Property
logPoct/wat 1.117 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
Pc 4305.56 kPa Joback Calculated Property
Inp 864.00 NIST
I [1527.00; 1586.00]   Show Hide
I 1527.00 NIST
I 1563.00 NIST
I 1568.00 NIST
I 1579.00 NIST
I 1586.00 NIST
I 1579.00 NIST
I 1527.00 NIST
I 1563.00 NIST
I 1586.00 NIST
Tboil [374.60; 446.65] K Show Hide
Tboil 437.20 K NIST
Tboil 436.50 ± 0.50 K NIST
Tboil Outlier 375.20 ± 2.00 K NIST
Tboil Outlier 374.80 ± 2.00 K NIST
Tboil Outlier 374.60 ± 2.00 K NIST
Tboil 423.65 ± 5.00 K NIST
Tboil 436.65 ± 3.00 K NIST
Tboil 436.65 ± 2.00 K NIST
Tboil 431.15 ± 5.00 K NIST
Tboil 434.65 ± 3.00 K NIST
Tboil 437.65 ± 1.00 K NIST
Tboil 437.55 ± 0.50 K NIST
Tboil 436.95 ± 1.00 K NIST
Tboil 436.00 ± 4.00 K NIST
Tboil 436.15 ± 3.00 K NIST
Tboil 434.65 ± 4.00 K NIST
Tboil 432.65 ± 4.00 K NIST
Tboil 446.65 ± 5.00 K NIST
Tboil 437.15 ± 1.50 K NIST
Tboil 435.00 ± 3.00 K NIST
Tboil 437.32 ± 0.50 K NIST
Tboil 436.65 ± 2.00 K NIST
Tboil 437.15 ± 1.50 K NIST
Tboil 432.15 ± 3.00 K NIST
Tboil 437.35 ± 1.00 K NIST
Tboil 436.65 ± 3.00 K NIST
Tboil 436.15 ± 2.00 K NIST
Tboil 436.15 ± 2.00 K NIST
Tboil 437.15 ± 2.00 K NIST
Tboil 436.15 ± 2.00 K NIST
Tboil 436.65 ± 2.00 K NIST
Tboil 436.90 ± 2.00 K NIST
Tc 639.96 K Joback Calculated Property
Tfus [304.00; 309.08] K Show Hide
Tfus 309.08 ± 0.01 K NIST
Tfus 308.55 ± 0.50 K NIST
Tfus 308.55 ± 0.25 K NIST
Tfus 308.82 ± 0.20 K NIST
Tfus 307.20 ± 4.00 K NIST
Tfus 306.25 ± 1.50 K NIST
Tfus Outlier 304.00 ± 2.00 K NIST
Tfus 308.15 ± 1.50 K NIST
Tfus 307.15 ± 1.00 K NIST
Vc 0.330 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [186.87; 232.22] J/mol×K [456.62; 639.96] Show Hide
Cp,gas 186.87 J/mol×K 456.62 Joback Calculated Property
Cp,gas 195.55 J/mol×K 487.18 Joback Calculated Property
Cp,gas 203.75 J/mol×K 517.73 Joback Calculated Property
Cp,gas 211.50 J/mol×K 548.29 Joback Calculated Property
Cp,gas 218.81 J/mol×K 578.85 Joback Calculated Property
Cp,gas 225.71 J/mol×K 609.41 Joback Calculated Property
Cp,gas 232.22 J/mol×K 639.96 Joback Calculated Property
Cp,solid [178.00; 192.20] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 192.20 J/mol×K 298.15 NIST
Cp,solid 178.00 J/mol×K 298.15 NIST
η [0.0002510; 0.0365089] Pa×s [259.28; 456.62] Show Hide
η 0.0365089 Pa×s 259.28 Joback Calculated Property
η 0.0099787 Pa×s 292.17 Joback Calculated Property
η 0.0035460 Pa×s 325.06 Joback Calculated Property
η 0.0015240 Pa×s 357.95 Joback Calculated Property
η 0.0007550 Pa×s 390.84 Joback Calculated Property
η 0.0004171 Pa×s 423.73 Joback Calculated Property
η 0.0002510 Pa×s 456.62 Joback Calculated Property
ΔfusH [2.27; 2.30] kJ/mol [309.10; 309.10] Show Hide
ΔfusH 2.30 kJ/mol 309.10 NIST
ΔfusH 2.27 kJ/mol 309.10 NIST
ΔsubH 62.30 kJ/mol 291.00 NIST
ΔvapH [47.00; 57.60] kJ/mol [408.00; 408.00] Show Hide
ΔvapH 57.60 ± 0.20 kJ/mol 408.00 NIST
ΔvapH 54.40 ± 0.20 kJ/mol 408.00 NIST
ΔvapH 50.90 ± 0.20 kJ/mol 408.00 NIST
ΔvapH 47.00 ± 0.40 kJ/mol 408.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.16; 202.66] kPa [309.08; 466.92] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38753e+01
Coefficient B-2.97668e+03
Coefficient C-1.19330e+02
Temperature range, min.309.08
Temperature range, max.466.92
Pvap 0.16 kPa 309.08 Calculated Property
Pvap 0.62 kPa 326.62 Calculated Property
Pvap 1.89 kPa 344.16 Calculated Property
Pvap 4.92 kPa 361.69 Calculated Property
Pvap 11.27 kPa 379.23 Calculated Property
Pvap 23.25 kPa 396.77 Calculated Property
Pvap 44.00 kPa 414.31 Calculated Property
Pvap 77.51 kPa 431.84 Calculated Property
Pvap 128.57 kPa 449.38 Calculated Property
Pvap 202.66 kPa 466.92 Calculated Property

Similar Compounds

Propanoic acid, 3-chloro-2,2-dimethyl-. 2,2-Dimethylpropanoic anhydride. Propanoic acid, 2,2-dimethyl-, methyl ester. Propanoic acid, 2-methyl-. Hydroxypivalic acid. «alpha»-Bromoisobutyric acid. 1-Propanol, 2,2-dimethyl-. 2,2-Dimethyl-3-hydroxypropionaldehyde. Dimethylolpropionic acid. Propanoic acid, 2,2-dimethyl-, chloromethyl ester. 3-Butenoic acid, 2,2-dimethyl-. 3-Chloro-2,2-bis(chloromethyl)propanoic acid. iPrCO2 anion. Propanoic acid, 2-hydroxy-2-methyl-. Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester.

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

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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