- InChI
- InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
- InChI Key
- FDLQZKYLHJJBHD-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- NCc1cccc(CN)c1
- Molecular Weight1
- 136.19
- CAS
- 1477-55-0
- Other Names
-
- m-Xylene-«alpha»,«alpha»'-diamine
- «alpha»,«alpha»'-m-Xylenediamine
- «alpha»,«alpha»'-Diamino-m-xylene
- m-Xylylenediamine
- 1,3-Bis(aminomethyl)benzene
- 1,3-Xylylenediamine
- m-Phenylenebis(methylamine)
- m-Xylylendiamin
- Methylamine, m-phenylenebis-
- MXDA
- 1,3-Bis-aminomethylbenzen
- NSC 61568
- Epilink MX
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 252.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 84.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.10 | Crippen Calculated Property | |
| logPoct/wat | 0.604 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | 1328.20 | NIST | |
| Tboil | [519.50; 520.20] | K |
|
| Tboil | 520.20 | K | NIST |
| Tboil | 519.50 ± 1.50 | K | NIST |
| Tc | 793.38 | K | Joback Calculated Property |
| Tfus | 385.38 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.99; 345.59] | J/mol×K | [559.16; 793.38] |
|
| Cp,gas | 281.99 | J/mol×K | 559.16 | Joback Calculated Property |
| Cp,gas | 294.53 | J/mol×K | 598.20 | Joback Calculated Property |
| Cp,gas | 306.24 | J/mol×K | 637.23 | Joback Calculated Property |
| Cp,gas | 317.17 | J/mol×K | 676.27 | Joback Calculated Property |
| Cp,gas | 327.34 | J/mol×K | 715.31 | Joback Calculated Property |
| Cp,gas | 336.81 | J/mol×K | 754.34 | Joback Calculated Property |
| Cp,gas | 345.59 | J/mol×K | 793.38 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [413.00; 538.20] | K | [1.90; 99.30] |
|
| Tboilr | 413.00 | K | 1.90 | NIST |
| Tboilr | 538.20 | K | 99.30 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Benzenedimethanamine.
Sources
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