- InChI
- InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
- InChI Key
- WJAJPNHVVFWKKL-UHFFFAOYSA-N
- Formula
- C11H17NO3
- SMILES
- COc1ccc(OC)c(C(O)C(C)N)c1
- Molecular Weight1
- 211.26
- CAS
- 390-28-3
- Other Names
-
- Benzenemethanol, «alpha»-(1-aminoethyl)-2,5-dimethoxy-
- Benzyl alcohol, «alpha»-(1-aminoethyl)-2,5-dimethoxy-
- Methoxamin
- Pseudomethoxamine
- (.+/-.)-«alpha»-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol
- 2,5-Dimethoxynorephedrine
- Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-
- 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).
- 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 | 0.7687 | Relay (... Calculated Property | |
| ΔfG° | -150.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.15 | kJ/mol | Relay (... Calculated Property |
| IE | 7.96 | eV | Relay (... Calculated Property |
| log10WS | -1.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.084 | Crippen Calculated Property | |
| McVol | 169.680 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1765.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 594.71 | K | Relay (... Calculated Property |
| Tc | 791.80 | K | Relay (... Calculated Property |
| Tfus | 418.56 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.47; 532.93] | J/mol×K | [696.39; 900.21] |
|
| Cp,gas | 468.47 | J/mol×K | 696.39 | Joback Calculated Property |
| Cp,gas | 481.04 | J/mol×K | 730.36 | Joback Calculated Property |
| Cp,gas | 492.88 | J/mol×K | 764.33 | Joback Calculated Property |
| Cp,gas | 503.99 | J/mol×K | 798.30 | Joback Calculated Property |
| Cp,gas | 514.37 | J/mol×K | 832.27 | Joback Calculated Property |
| Cp,gas | 524.01 | J/mol×K | 866.24 | Joback Calculated Property |
| Cp,gas | 532.93 | J/mol×K | 900.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methoxamine.
Sources
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