- InChI
- InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
- InChI Key
- DFUGJTBMQKRCPI-UHFFFAOYSA-N
- Formula
- C6H9N3O3
- SMILES
- COc1nc(OC)nc(OC)n1
- Molecular Weight1
- 171.15
- CAS
- 877-89-4
- Other Names
-
- s-Triazine, 2,4,6-trimethoxy-
- Trimethyl cyanurate
- 2,4,6-Trimethoxy-s-triazine
- 2,4,6-Trimethoxy-1,3,5-triazine
- 2,4,6-Trimethoxy-[1,3,5]-triazin
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ΔsubS : Entropy of sublimation at a given temperature (J/mol×K).
- 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 | 0.5586 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3169.04; -3168.69] | kJ/mol |
|
| ΔcH°solid | -3169.04 ± 0.82 | kJ/mol | NIST |
| ΔcH°solid | -3168.69 ± 0.83 | kJ/mol | NIST |
| ΔfG° | 75.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -387.90 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | [-478.60; -478.30] | kJ/mol |
|
| ΔfH°solid | -478.30 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -478.60 ± 0.87 | kJ/mol | NIST |
| ΔsubH° | [88.20; 90.33] | kJ/mol |
|
| ΔsubH° | 90.33 ± 0.94 | kJ/mol | NIST |
| ΔsubH° | 88.20 ± 1.30 | kJ/mol | NIST |
| ΔsubH° | 90.30 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 88.20 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 63.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.103 | Crippen Calculated Property | |
| McVol | 119.190 | ml/mol | McGowan Calculated Property |
| Pc | 3819.39 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 460.97 | K | Relay (1.0) Calculated Property |
| Tc | 715.59 | K | Relay (1.0) Calculated Property |
| Tfus | 352.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 207.00 | J/mol×K | 298.15 | NIST |
| ΔfusH | 18.10 | kJ/mol | 410.50 | NIST |
| ΔsubH | [86.60; 90.33] | kJ/mol | [298.15; 338.00] |
|
| ΔsubH | 90.33 | kJ/mol | 298.15 | NIST |
| ΔsubH | 86.60 ± 1.30 | kJ/mol | 338.00 | NIST |
| ΔsubS | 303.00 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine, 2,4,6-trimethoxy-.
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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