Chemical Properties of Propanoic acid, 2,2-dimethyl-, methyl ester (CAS 598-98-1)

Propanoic acid, 2,2-dimethyl-, methyl ester

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InChI
InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
InChI Key
CNMFHDIDIMZHKY-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
COC(=O)C(C)(C)C
Molecular Weight1
116.16
CAS
598-98-1
Other Names
  • Pivalic acid, methyl ester
  • Methyl pivalate
  • Methyl trimethylacetate
  • 2,2-Dimethylpropanoic acid methyl ester
  • tert-C4H9COOCH3
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Physical Properties

Property Value Unit Source
PAff 845.20 kJ/mol NIST
BasG 814.20 kJ/mol NIST
Δcliquid [-3546.00; -3520.00] kJ/mol Show Hide
Δcliquid -3546.00 ± 1.20 kJ/mol NIST
Δcliquid -3520.00 kJ/mol NIST
Δf -231.44 kJ/mol Joback Calculated Property
Δfgas [-513.80; -494.38] kJ/mol Show Hide
Δfgas -494.38 kJ/mol NIST
Δfgas -513.80 ± 7.50 kJ/mol NIST
Δfliquid [-552.30; -530.07] kJ/mol Show Hide
Δfliquid -530.07 kJ/mol NIST
Δfliquid -552.30 ± 7.10 kJ/mol NIST
Δfus 6.67 kJ/mol Joback Calculated Property
Δvap [35.70; 3520.00] kJ/mol Show Hide
Δvap 37.70 kJ/mol NIST
Δvap 39.00 ± 0.50 kJ/mol NIST
Δvap 39.70 ± 0.30 kJ/mol NIST
Δvap 35.70 kJ/mol NIST
Δvap 35.70 kJ/mol NIST
Δvap Outlier 3520.00 kJ/mol NIST
Δvap 38.00 ± 1.00 kJ/mol NIST
Δvap 38.50 kJ/mol NIST
IE 9.90 ± 0.04 eV NIST
log10WS -0.95 Crippen Calculated Property
logPoct/wat 1.205 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3345.11 kPa Joback Calculated Property
Inp [718.00; 718.00]   Show Hide
Inp 718.00 NIST
Inp 718.00 NIST
Tboil [374.20; 375.05] K Show Hide
Tboil 374.20 K NIST
Tboil 375.00 ± 1.00 K NIST
Tboil 375.05 ± 0.40 K NIST
Tc 599.15 K Joback Calculated Property
Tfus 231.96 K Joback Calculated Property
Vc 0.385 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.96; 261.33] J/mol×K [409.74; 599.15] Show Hide
Cp,gas 201.96 J/mol×K 409.74 Joback Calculated Property
Cp,gas 213.08 J/mol×K 441.31 Joback Calculated Property
Cp,gas 223.69 J/mol×K 472.88 Joback Calculated Property
Cp,gas 233.81 J/mol×K 504.44 Joback Calculated Property
Cp,gas 243.45 J/mol×K 536.01 Joback Calculated Property
Cp,gas 252.62 J/mol×K 567.58 Joback Calculated Property
Cp,gas 261.33 J/mol×K 599.15 Joback Calculated Property
Cp,liquid [223.00; 257.90] J/mol×K [297.00; 298.15] Show Hide
Cp,liquid 223.00 J/mol×K 297.00 NIST
Cp,liquid 257.90 J/mol×K 298.15 NIST
η [0.0002947; 0.0047319] Pa×s [231.96; 409.74] Show Hide
η 0.0047319 Pa×s 231.96 Joback Calculated Property
η 0.0022923 Pa×s 261.59 Joback Calculated Property
η 0.0012870 Pa×s 291.22 Joback Calculated Property
η 0.0008038 Pa×s 320.85 Joback Calculated Property
η 0.0005436 Pa×s 350.48 Joback Calculated Property
η 0.0003908 Pa×s 380.11 Joback Calculated Property
η 0.0002947 Pa×s 409.74 Joback Calculated Property
ΔvapH 35.20 kJ/mol 327.50 NIST

Similar Compounds

Propanoic acid, 2,2-dimethyl-, chloromethyl ester. Dimethylpropanedioic acid dimethyl ester. 2,2-Dimethylpropanoic anhydride. Propanoic acid, 2,2-dimethyl-, ethyl ester. Propanoic acid, 3-chloro-2,2-dimethyl-, methyl ester. 2-Oxetanone, 3,3-dimethyl-. Methyl isobutyrate. Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester. Propanoic acid, 2,2-dimethyl-. tert-C4H9C(O)OCH(CH3)2. Propane, 1-methoxy-2,2-dimethyl-. 2-Hydroxyethyl-2',2'-dimethylpropionate. Propanoic acid, 2,2-dimethyl-, propyl ester. Formic acid, neopentyl ester. Butanoic acid, 2,2-dimethyl-, methyl ester.

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

Sources

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