Chemical Properties of Butanoic acid, 3,3-dimethyl- (CAS 1070-83-3)

Butanoic acid, 3,3-dimethyl-

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InChI
InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key
MLMQPDHYNJCQAO-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(C)(C)CC(=O)O
Molecular Weight1
116.16
CAS
1070-83-3
Other Names
  • (CH3)3CCH2COOH
  • 3,3-Dimethyl-n-butyric acid
  • 3,3-Dimethylbutanoic acid
  • 3,3-Dimethylbutyric acid
  • Butyric acid, 3,3-dimethyl-
  • t-Butylacetic acid
  • tert-Butylacetic acid
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Physical Properties

Property Value Unit Source
Δf -263.26 kJ/mol Joback Calculated Property
Δfgas -440.73 kJ/mol Joback Calculated Property
Δfus 9.57 kJ/mol Joback Calculated Property
Δvap 64.00 ± 0.90 kJ/mol NIST
log10WS -1.19 Crippen Calculated Property
logPoct/wat 1.507 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3810.39 kPa Joback Calculated Property
Tboil [460.70; 463.20] K Show Hide
Tboil 460.70 K NIST
Tboil 463.20 K NIST
Tc 661.11 K Joback Calculated Property
Tfus 280.00 ± 2.00 K NIST
Vc 0.386 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [226.86; 278.06] J/mol×K [479.50; 661.11] Show Hide
Cp,gas 226.86 J/mol×K 479.50 Joback Calculated Property
Cp,gas 236.61 J/mol×K 509.77 Joback Calculated Property
Cp,gas 245.85 J/mol×K 540.04 Joback Calculated Property
Cp,gas 254.59 J/mol×K 570.30 Joback Calculated Property
Cp,gas 262.86 J/mol×K 600.57 Joback Calculated Property
Cp,gas 270.68 J/mol×K 630.84 Joback Calculated Property
Cp,gas 278.06 J/mol×K 661.11 Joback Calculated Property
η [0.0002084; 0.0298236] Pa×s [270.55; 479.50] Show Hide
η 0.0298236 Pa×s 270.55 Joback Calculated Property
η 0.0081361 Pa×s 305.38 Joback Calculated Property
η 0.0028958 Pa×s 340.20 Joback Calculated Property
η 0.0012487 Pa×s 375.02 Joback Calculated Property
η 0.0006212 Pa×s 409.85 Joback Calculated Property
η 0.0003447 Pa×s 444.67 Joback Calculated Property
η 0.0002084 Pa×s 479.50 Joback Calculated Property
ΔvapH 63.60 ± 0.90 kJ/mol 304.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [351.23; 486.66] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57473e+01
Coefficient B-4.34913e+03
Coefficient C-6.99060e+01
Temperature range, min.351.23
Temperature range, max.486.66
Pvap 1.33 kPa 351.23 Calculated Property
Pvap 2.92 kPa 366.28 Calculated Property
Pvap 5.94 kPa 381.33 Calculated Property
Pvap 11.31 kPa 396.37 Calculated Property
Pvap 20.34 kPa 411.42 Calculated Property
Pvap 34.81 kPa 426.47 Calculated Property
Pvap 57.04 kPa 441.52 Calculated Property
Pvap 89.95 kPa 456.56 Calculated Property
Pvap 137.09 kPa 471.61 Calculated Property
Pvap 202.66 kPa 486.66 Calculated Property

Similar Compounds

3,3-Dimethylglutaric acid. Butanoic acid, 3-methyl-. Butanoic acid, 3,3-dimethyl-, methyl ester. 2,2-Dimethylbutanedioic acid. Butanoic acid, 3-hydroxy-3-methyl-. 3,3-Dimethylheptanoic acid. 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-. t-C4H9CH2C(O)OCH2CH3. 3-Methylglutaric acid. 1-Butanol, 3,3-dimethyl-. Pentanedioic acid, 3,3-dimethyl-, dimethyl ester. Butanamide, 3,3-dimethyl-. 3,3-dimethylbutyryl chloride. Butanal, 3,3-dimethyl-. 3,3-Dimethylbutanal.

Find more compounds similar to Butanoic acid, 3,3-dimethyl-.

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