- InChI
- InChI=1S/C11H16N2O6/c1-4-3-13(11(18)12-9(4)17)10-8(16)7(15)6(14)5(2)19-10/h3,5-8,10,14-16H,1-2H3,(H,12,17,18)
- InChI Key
- GFAFUFUZQURDNX-UHFFFAOYSA-N
- Formula
- C11H16N2O6
- SMILES
-
Cc1cn(C2OC(C)C(O)C(O)C2O)c(=O)
nc1O - Molecular Weight1
- 272.25
- 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).
- 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 | 0.9216 | Relay (1.0) Calculated Property | |
| ΔfG° | -426.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -976.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 165.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.743 | Crippen Calculated Property | |
| McVol | 186.410 | ml/mol | McGowan Calculated Property |
| Pc | 3275.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 668.43 | K | Relay (1.0) Calculated Property |
| Tc | 962.80 | K | Relay (1.0) Calculated Property |
| Tfus | 438.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thymine, 1-alpha-l-rhamnopyranosyl-.
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
- McGowan Method
- NIST Webbook
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