- InChI
- InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
- InChI Key
- OSBQUSPVORCDCU-UHFFFAOYSA-N
- Formula
- C10H11NO3
- SMILES
- COc1cc(C#N)cc(OC)c1OC
- Molecular Weight1
- 193.20
- CAS
- 1885-35-4
- Other Names
-
- 2,4,5-Trimethoxybenzonitrile
- 3,4,5-Trimethoxybenzenecarbonitrile
- 3,4,5-Trimethoxybenzonitrile
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6359 | Relay (... Calculated Property | |
| ΔfG° | -64.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -2.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.584 | Crippen Calculated Property | |
| McVol | 146.990 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 574.22 | K | Relay (... Calculated Property |
| Tc | 783.11 | K | Relay (... Calculated Property |
| Tfus | 371.73 | K | Relay (... Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.92; 414.33] | J/mol×K | [639.16; 857.09] | 
|
| Cp,gas | 354.92 | J/mol×K | 639.16 | Joback Calculated Property |
| Cp,gas | 366.33 | J/mol×K | 675.48 | Joback Calculated Property |
| Cp,gas | 377.19 | J/mol×K | 711.80 | Joback Calculated Property |
| Cp,gas | 387.45 | J/mol×K | 748.13 | Joback Calculated Property |
| Cp,gas | 397.08 | J/mol×K | 784.45 | Joback Calculated Property |
| Cp,gas | 406.05 | J/mol×K | 820.77 | Joback Calculated Property |
| Cp,gas | 414.33 | J/mol×K | 857.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 455.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzonitrile, 3,4,5-trimethoxy-.
Sources
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