Chemical Properties of DL-Valyl-DL-valine, N-methyl-N-octyloxycarbonyl-, octyl ester

DL-Valyl-DL-valine, N-methyl-N-octyloxycarbonyl-, octyl ester

InChI
InChI=1S/C29H56N2O5/c1-9-11-13-15-17-19-21-35-28(33)26(24(5)6)30(7)27(32)25(23(3)4)31(8)29(34)36-22-20-18-16-14-12-10-2/h23-26H,9-22H2,1-8H3
InChI Key
GMVUOSTWEVTAAD-UHFFFAOYSA-N
Formula
C29H56N2O5
SMILES
CCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)OCCCCCCCC
Molecular Weight1
512.77
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° 69.99 kJ/mol Joback Calculated Property
ΔvapH° 125.83 kJ/mol Relay (1.0) Calculated Property
log10WS -6.01 Relay (1.0) Calculated Property
logPoct/wat 6.827 Crippen Calculated Property
McVol 455.880 ml/mol McGowan Calculated Property
Inp 3089.00 NIST
Tboil 664.46 K Relay (1.0) Calculated Property
Tfus 316.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1647.65; 1738.24] J/mol×K [1092.49; 1371.32] Show Hide
Cp,gas 1647.65 J/mol×K 1092.49 Joback Calculated Property
Cp,gas 1668.59 J/mol×K 1138.96 Joback Calculated Property
Cp,gas 1686.98 J/mol×K 1185.43 Joback Calculated Property
Cp,gas 1702.98 J/mol×K 1231.90 Joback Calculated Property
Cp,gas 1716.74 J/mol×K 1278.38 Joback Calculated Property
Cp,gas 1728.44 J/mol×K 1324.85 Joback Calculated Property
Cp,gas 1738.24 J/mol×K 1371.32 Joback Calculated Property

Similar Compounds

DL-Valyl-DL-valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, butyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, butyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, octyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, pentyl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, hexyl ester. DL-Valyl-DL-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester. DL-Valyl-DL-Valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, 3-chloropropyl ester.

Find more compounds similar to DL-Valyl-DL-valine, N-methyl-N-octyloxycarbonyl-, octyl 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.