Chemical Properties of BUTANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, ETHYL ESTER

BUTANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, ETHYL ESTER

InChI
InChI=1S/C8H16O3/c1-5-11-7(10)8(3,4)6(2)9/h6,9H,5H2,1-4H3
InChI Key
DPZVLAWBYJYWFX-UHFFFAOYSA-N
Formula
C8H16O3
SMILES
CCOC(=O)C(C)(C)C(C)O
Molecular Weight1
160.21
Other Names
  • Ethyl 3-hydroxy-2,2-dimethylbutanoate
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Physical Properties

Property Value Unit Source
ω 0.5876 Relay (1.0) Calculated Property
ΔfH°gas -714.65 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.00 kJ/mol Joback Calculated Property
ΔvapH° 67.33 kJ/mol Relay (1.0) Calculated Property
IE 9.93 eV Relay (1.0) Calculated Property
logPoct/wat 0.956 Crippen Calculated Property
McVol 136.890 ml/mol McGowan Calculated Property
Pc 2884.30 kPa Joback Calculated Property
Ip [1699.00; 1699.00]   Show Hide
Ip 1699.00 NIST
Ip 1699.00 NIST
Tboil 454.68 K Relay (1.0) Calculated Property
Tc 656.50 K Relay (1.0) Calculated Property
Tfus 270.12 K Relay (1.0) Calculated Property
Vc 0.499 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [202.26; 460.84] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.61000e-01
Coefficient B8.74780e-01
Coefficient C-5.22200e-04
Coefficient D1.08100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 202.26 J/mol×K 273.00 Calculated Property
Cp,gas 249.07 J/mol×K 353.78 Calculated Property
Cp,gas 290.56 J/mol×K 434.56 Calculated Property
Cp,gas 327.08 J/mol×K 515.33 Calculated Property
Cp,gas 358.96 J/mol×K 596.11 Calculated Property
Cp,gas 386.55 J/mol×K 676.89 Calculated Property
Cp,gas 410.20 J/mol×K 757.67 Calculated Property
Cp,gas 430.23 J/mol×K 838.44 Calculated Property
Cp,gas 447.00 J/mol×K 919.22 Calculated Property
Cp,gas 460.84 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0513173; 0.0001568] Pa×s [270.49; 495.26] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.57295e+01
Coefficient B3.45139e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.270.49
Temperature range, max.495.26
η 0.0513173 Pa×s 270.49 Calculated Property
η 0.0174529 Pa×s 295.46 Calculated Property
η 0.0070224 Pa×s 320.44 Calculated Property
η 0.0032231 Pa×s 345.41 Calculated Property
η 0.0016431 Pa×s 370.39 Calculated Property
η 0.0009121 Pa×s 395.36 Calculated Property
η 0.0005430 Pa×s 420.34 Calculated Property
η 0.0003426 Pa×s 445.31 Calculated Property
η 0.0002270 Pa×s 470.28 Calculated Property
η 0.0001568 Pa×s 495.26 Calculated Property

Similar Compounds

methyl 3-hydroxy-2-methylbutanoate. Butanoic acid, 2,3-dihydroxy-2-methyl, threo, methyl ester. Butanoic acid, 2,3-dihydroxy-2-methyl, erythro, methyl ester. Propanedioic acid, ethylmethyl-, diethyl ester. DIETHYL ISOPROPYLMETHYLMALONATE. Tricyclo[3.3.1.1(3,7)]decane-2-ol-1-carboxylic acid, methyl ester. ethyl 3-acetoxy-2-methylbutanoate. Valeric acid, 3-hydroxy-2,2,4-trimethyl-. 3-hydroxy-2,2,4-trimethylpentyl isobutyrate. Diethylmalonic acid, isobutyl isopropyl ester. 2-Hydroxy-cyclopentanecarboxylic acid ethyl ester, cis. 2-Hydroxy-cyclopentanecarboxylic acid ethyl ester, trans. 2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, trans. 2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, cis. Diethylmalonic acid, ethyl isopropyl ester.

Find more compounds similar to BUTANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, ETHYL ESTER.

Sources

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