- InChI
- InChI=1S/C17H32N2O5/c1-6-7-10-24-17(22)19(5)12-15(20)18(4)13-16(21)23-11-8-9-14(2)3/h14H,6-13H2,1-5H3
- InChI Key
- DFNNQGRUJRJXNM-UHFFFAOYSA-N
- Formula
- C17H32N2O5
- SMILES
-
CCCCOC(=O)N(C)CC(=O)N(C)CC(=O)
OCCCC(C)C - Molecular Weight1
- 344.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1075.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.80 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.293 | Crippen Calculated Property | |
| McVol | 286.800 | ml/mol | McGowan Calculated Property |
| Inp | 2350.00 | NIST | |
| Tboil | 608.91 | K | Relay (1.0) Calculated Property |
| Tc | 800.97 | K | Relay (1.0) Calculated Property |
| Tfus | 278.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 | [884.51; 966.76] | J/mol×K | [783.31; 965.89] | 
|
| Cp,gas | 884.51 | J/mol×K | 783.31 | Joback Calculated Property |
| Cp,gas | 900.80 | J/mol×K | 813.74 | Joback Calculated Property |
| Cp,gas | 916.02 | J/mol×K | 844.17 | Joback Calculated Property |
| Cp,gas | 930.21 | J/mol×K | 874.60 | Joback Calculated Property |
| Cp,gas | 943.38 | J/mol×K | 905.03 | Joback Calculated Property |
| Cp,gas | 955.55 | J/mol×K | 935.46 | Joback Calculated Property |
| Cp,gas | 966.76 | J/mol×K | 965.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosylsarcosine, N-butoxycarbonyl-, isohexyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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.
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