Chemical Properties of methyl 3-hydroxy-3-methylpentanoate

methyl 3-hydroxy-3-methylpentanoate

InChI
InChI=1S/C7H14O3/c1-4-7(2,9)5-6(8)10-3/h9H,4-5H2,1-3H3
InChI Key
UDWYINMRIFIIGL-UHFFFAOYSA-N
Formula
C7H14O3
SMILES
CCC(C)(O)CC(=O)OC
Molecular Weight1
146.19
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6430 Relay (1.0) Calculated Property
ΔfH°gas -704.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.93 kJ/mol Joback Calculated Property
ΔvapH° 67.29 kJ/mol Relay (1.0) Calculated Property
IE 9.96 eV Relay (1.0) Calculated Property
log10WS -9.59e-03 Relay (1.0) Calculated Property
logPoct/wat 0.710 Crippen Calculated Property
McVol 122.800 ml/mol McGowan Calculated Property
Pc 3177.55 kPa Joback Calculated Property
I [1448.00; 1448.00]   Show Hide
I 1448.00 NIST
I 1448.00 NIST
Tboil 449.12 K Relay (1.0) Calculated Property
Tc 641.84 K Relay (1.0) Calculated Property
Tfus 256.39 K Relay (1.0) Calculated Property
Vc 0.449 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [181.36; 408.71] 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 A2.75200e+00
Coefficient B7.73860e-01
Coefficient C-4.64600e-04
Coefficient D9.67000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 181.36 J/mol×K 273.00 Calculated Property
Cp,gas 222.66 J/mol×K 353.78 Calculated Property
Cp,gas 259.24 J/mol×K 434.56 Calculated Property
Cp,gas 291.40 J/mol×K 515.33 Calculated Property
Cp,gas 319.45 J/mol×K 596.11 Calculated Property
Cp,gas 343.69 J/mol×K 676.89 Calculated Property
Cp,gas 364.43 J/mol×K 757.67 Calculated Property
Cp,gas 381.98 J/mol×K 838.44 Calculated Property
Cp,gas 396.64 J/mol×K 919.22 Calculated Property
Cp,gas 408.71 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0339385; 0.0001941] Pa×s [274.22; 478.23] 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-1.54881e+01
Coefficient B3.31941e+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.274.22
Temperature range, max.478.23
η 0.0339385 Pa×s 274.22 Calculated Property
η 0.0134679 Pa×s 296.89 Calculated Property
η 0.0060933 Pa×s 319.56 Calculated Property
η 0.0030622 Pa×s 342.22 Calculated Property
η 0.0016763 Pa×s 364.89 Calculated Property
η 0.0009846 Pa×s 387.56 Calculated Property
η 0.0006134 Pa×s 410.23 Calculated Property
η 0.0004015 Pa×s 432.90 Calculated Property
η 0.0002742 Pa×s 455.57 Calculated Property
η 0.0001941 Pa×s 478.23 Calculated Property

Similar Compounds

Pentanedioic acid, 3-ethyl-3-hydroxy, dimethyl ester. ethyl [2H5]mevalonate. Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester. 3-Hydroxy-3-methylvaleric acid. Dimethyl 3-hydroxy-3-methylpentane-1,5-dioate. [4,4,6,6,6-2H5]Mevalonic Acid Lactone. dl-Mevalonic acid lactone. Pentanedioic acid, 3-hydroxy-3-(methoxycarbonylmethyl), dimethyl ester. Butanedioic acid, 2-ethyl-2-hydroxy, dimethyl ester. Pentanoic acid, 3-hydroxy-, methyl ester. Butanedioic acid, 2-butyl-2-hydroxy, dimethyl ester. 1,2,4-Butanetricarboxylic acid, 2-hydroxy, trimethyl ester. Butanoic acid, 3-hydroxy-3-methyl-, methyl ester. Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester. Hexanoic acid, 3-hydroxy-, methyl ester.

Find more compounds similar to methyl 3-hydroxy-3-methylpentanoate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.