- InChI
- InChI=1S/C18H34N4O4S2/c1-7-25-17(23)15(19-13-21(3)4)9-11-27-28-12-10-16(18(24)26-8-2)20-14-22(5)6/h13-16H,7-12H2,1-6H3
- InChI Key
- LIEFWTZUPFGZTD-UHFFFAOYSA-N
- Formula
- C18H34N4O4S2
- SMILES
-
CCOC(=O)C(CCSSCCC(N=CN(C)C)C(=
O)OCC)N=CN(C)C - Molecular Weight1
- 434.62
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9234 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -693.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.191 | Crippen Calculated Property | |
| McVol | 343.380 | ml/mol | McGowan Calculated Property |
| Pc | 1097.90 | kPa | Joback Calculated Property |
| Inp | 3043.00 | NIST | |
| Tboil | 689.50 | K | Relay (1.0) Calculated Property |
| Tc | 888.87 | K | Relay (1.0) Calculated Property |
| Tfus | 321.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.192 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Homocystine, N,N'-bis(dimethylaminomethylene)-, diethyl 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
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