Chemical Properties of Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester

Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester

InChI
InChI=1S/C10H18O5/c1-7(2)10(13,5-8(11)14-3)6-9(12)15-4/h7,13H,5-6H2,1-4H3
InChI Key
IBYRCUNEKPBGQF-UHFFFAOYSA-N
Formula
C10H18O5
SMILES
COC(=O)CC(O)(CC(=O)OC)C(C)C
Molecular Weight1
218.25
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
ΔfH°gas -1046.19 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.55 kJ/mol Joback Calculated Property
ΔvapH° 82.22 kJ/mol Relay (1.0) Calculated Property
IE 9.78 eV Relay (1.0) Calculated Property
log10WS -0.55 Relay (1.0) Calculated Property
logPoct/wat 0.500 Crippen Calculated Property
McVol 172.510 ml/mol McGowan Calculated Property
Pc 2381.86 kPa Joback Calculated Property
Inp 1367.00 NIST
Tboil 521.95 K Relay (1.0) Calculated Property
Tfus 311.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [467.26; 530.58] J/mol×K [633.35; 813.22] Show Hide
Cp,gas 467.26 J/mol×K 633.35 Joback Calculated Property
Cp,gas 479.51 J/mol×K 663.33 Joback Calculated Property
Cp,gas 491.07 J/mol×K 693.31 Joback Calculated Property
Cp,gas 501.94 J/mol×K 723.28 Joback Calculated Property
Cp,gas 512.15 J/mol×K 753.26 Joback Calculated Property
Cp,gas 521.69 J/mol×K 783.24 Joback Calculated Property
Cp,gas 530.58 J/mol×K 813.22 Joback Calculated Property
η [0.0000363; 0.0103567] Pa×s [335.36; 633.35] Show Hide
η 0.0103567 Pa×s 335.36 Joback Calculated Property
η 0.0021985 Pa×s 385.02 Joback Calculated Property
η 0.0006650 Pa×s 434.69 Joback Calculated Property
η 0.0002571 Pa×s 484.35 Joback Calculated Property
η 0.0001186 Pa×s 534.02 Joback Calculated Property
η 0.0000624 Pa×s 583.68 Joback Calculated Property
η 0.0000363 Pa×s 633.35 Joback Calculated Property

Similar Compounds

Pentanedioic acid, 3-ethyl-3-hydroxy, dimethyl ester. methyl 3-hydroxy-3-methylpentanoate. Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester. ethyl [2H5]mevalonate. Butanedioic acid, 2-ethyl-2-hydroxy, dimethyl ester. Dimethyl 3-hydroxy-3-methylpentane-1,5-dioate. Pentanedioic acid, 3-hydroxy-3-(methoxycarbonylmethyl), dimethyl ester. [4,4,6,6,6-2H5]Mevalonic Acid Lactone. dl-Mevalonic acid lactone. 1,2,4-Butanetricarboxylic acid, 2-hydroxy, trimethyl ester. methyl 4-hydroxy-3-methylpentanoate. iso-17:0, 3-OH, methyl ester. Butanedioic acid, 2-butyl-2-hydroxy, dimethyl ester. Pentanoic acid, 2-hydroxy-3-methyl-, methyl ester. Cyclohexanecarboxylic acid, 2-hydroxy-, methyl ester.

Find more compounds similar to Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester.

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.