Chemical Properties of Diethylmalonic acid, 3-methoxyphenyl pentyl ester

Diethylmalonic acid, 3-methoxyphenyl pentyl ester

InChI
InChI=1S/C19H28O5/c1-5-8-9-13-23-17(20)19(6-2,7-3)18(21)24-16-12-10-11-15(14-16)22-4/h10-12,14H,5-9,13H2,1-4H3
InChI Key
NTPBVLFVIJLLMU-UHFFFAOYSA-N
Formula
C19H28O5
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(OC)c1
Molecular Weight1
336.42
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
ΔfusH° 41.13 kJ/mol Joback Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -4.65 Relay (1.0) Calculated Property
logPoct/wat 4.140 Crippen Calculated Property
McVol 275.560 ml/mol McGowan Calculated Property
Pc 1357.63 kPa Joback Calculated Property
Inp 2231.00 NIST
Tboil 627.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [836.90; 914.94] J/mol×K [801.61; 1002.65] Show Hide
Cp,gas 836.90 J/mol×K 801.61 Joback Calculated Property
Cp,gas 852.90 J/mol×K 835.12 Joback Calculated Property
Cp,gas 867.67 J/mol×K 868.62 Joback Calculated Property
Cp,gas 881.23 J/mol×K 902.13 Joback Calculated Property
Cp,gas 893.61 J/mol×K 935.64 Joback Calculated Property
Cp,gas 904.83 J/mol×K 969.15 Joback Calculated Property
Cp,gas 914.94 J/mol×K 1002.65 Joback Calculated Property
η [0.0000296; 0.0006630] Pa×s [452.14; 801.61] Show Hide
η 0.0006630 Pa×s 452.14 Joback Calculated Property
η 0.0002939 Pa×s 510.38 Joback Calculated Property
η 0.0001539 Pa×s 568.63 Joback Calculated Property
η 0.0000909 Pa×s 626.88 Joback Calculated Property
η 0.0000587 Pa×s 685.12 Joback Calculated Property
η 0.0000406 Pa×s 743.37 Joback Calculated Property
η 0.0000296 Pa×s 801.61 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexyl 3-methoxyphenyl ester. Diethylmalonic acid, 3-methoxyphenyl octyl ester. Diethylmalonic acid, 3-methoxyphenyl nonyl ester. Diethylmalonic acid, heptyl 3-methoxyphenyl ester. Diethylmalonic acid, butyl 3-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl pentyl ester. Diethylmalonic acid, hexyl 4-methoxyphenyl ester. Diethylmalonic acid, heptyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl nonyl ester. Diethylmalonic acid, decyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl octyl ester. Diethylmalonic acid, 3-methoxyphenyl propyl ester. Diethylmalonic acid, butyl 4-methoxyphenyl ester. Diethylmalonic acid, 2,6-dimethoxyphenyl pentyl ester. Diethylmalonic acid, 4-bromophenyl pentyl ester.

Find more compounds similar to Diethylmalonic acid, 3-methoxyphenyl pentyl 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.