- InChI
- InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
- InChI Key
- GRRIMVWABNHKBX-UHFFFAOYSA-N
- Formula
- C8H11NO
- SMILES
- COc1cccc(CN)c1
- Molecular Weight1
- 137.18
- CAS
- 5071-96-5
- Other Names
-
- m-Methoxybenzylamine
- Benzenemethanamine, 3-methoxy-
- Benzylamine, m-methoxy-
- 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 | 0.5007 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.154 | Crippen Calculated Property | |
| McVol | 115.670 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Tboil | 507.34 | K | Relay (1.0) Calculated Property |
| Tc | 710.75 | K | Relay (1.0) Calculated Property |
| Tfus | 249.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.29; 315.60] | J/mol×K | [509.05; 730.98] | 
|
| Cp,gas | 251.29 | J/mol×K | 509.05 | Joback Calculated Property |
| Cp,gas | 263.62 | J/mol×K | 546.04 | Joback Calculated Property |
| Cp,gas | 275.28 | J/mol×K | 583.03 | Joback Calculated Property |
| Cp,gas | 286.30 | J/mol×K | 620.01 | Joback Calculated Property |
| Cp,gas | 296.69 | J/mol×K | 657.00 | Joback Calculated Property |
| Cp,gas | 306.45 | J/mol×K | 693.99 | Joback Calculated Property |
| Cp,gas | 315.60 | J/mol×K | 730.98 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 413.20 | K | 4.90 | NIST |
Similar Compounds
Find more compounds similar to 3-Methoxybenzylamine.
Sources
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