Chemical Properties of DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-octyloxycarbonyl-, octyl ester

DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-octyloxycarbonyl-, octyl ester

InChI
InChI=1S/C29H55N3O6/c1-9-11-13-15-17-19-21-37-28(35)25(5)31(7)26(33)23(3)30(6)27(34)24(4)32(8)29(36)38-22-20-18-16-14-12-10-2/h23-25H,9-22H2,1-8H3
InChI Key
PQQDOLGKLAJPMB-UHFFFAOYSA-N
Formula
C29H55N3O6
SMILES
CCCCCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCCCCCCC
Molecular Weight1
541.77
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
ΔfH°gas -1431.55 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 81.30 kJ/mol Joback Calculated Property
ΔvapH° 132.11 kJ/mol Relay (1.0) Calculated Property
log10WS -4.99 Relay (1.0) Calculated Property
logPoct/wat 5.401 Crippen Calculated Property
McVol 467.430 ml/mol McGowan Calculated Property
Pc 675.35 kPa Joback Calculated Property
Inp [3406.00; 3406.00]   Show Hide
Inp 3406.00 NIST
Inp 3406.00 NIST
Tboil 670.53 K Relay (1.0) Calculated Property
Tc 908.41 K Relay (1.0) Calculated Property
Tfus 328.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [1685.14; 1758.50] J/mol×K [1123.30; 1423.85] Show Hide
Cp,gas 1685.14 J/mol×K 1123.30 Joback Calculated Property
Cp,gas 1703.80 J/mol×K 1173.39 Joback Calculated Property
Cp,gas 1719.57 J/mol×K 1223.48 Joback Calculated Property
Cp,gas 1732.69 J/mol×K 1273.58 Joback Calculated Property
Cp,gas 1743.40 J/mol×K 1323.67 Joback Calculated Property
Cp,gas 1751.92 J/mol×K 1373.76 Joback Calculated Property
Cp,gas 1758.50 J/mol×K 1423.85 Joback Calculated Property

Similar Compounds

DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N'''-hexyloxycarbonyl-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-hexyloxycarbonyl-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, heptyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, octyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, tetradecyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, hexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, pentyl ester. DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-N''-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanyl-DL-alanine, N,N'-dimethyl-N'-(byt-4-en-1-yloxycarbonyl)-, byt-4-en-1-yl ester. DL-Valyl-DL-valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester.

Find more compounds similar to DL-Alanyl-DL-alanyl-DL-alanine, N,N',N''-trimethyl-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.