- InChI
- InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
- InChI Key
- GEYOCULIXLDCMW-UHFFFAOYSA-N
- Formula
- C6H8N2
- SMILES
- Nc1ccccc1N
- Molecular Weight1
- 108.14
- CAS
- 95-54-5
- Other Names
-
- 1,2-Diaminobenzene
- 1,2-Fenylendiamin
- 1,2-Phenylenediamine
- 2-Aminoaniline
- C.I. 76010
- C.I. Oxidation Base 16
- EK 1700
- IK 3
- NSC 5354
- O-BENZENEDIAMINE
- OPDA
- Orthamine
- PODA
- SQ 15500
- benzene, 1,2-diamino-
- o-Aminoaniline
- o-Diaminobenzene
- o-Fenylendiamin
- o-Phenylenediamine
- o-aminophenylamine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (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 |
|---|---|---|---|
| PAff | 896.50 | kJ/mol | NIST |
| BasG | 865.80 | kJ/mol | NIST |
| ΔcH°solid | [-3543.50; -3504.00] | kJ/mol |
|
| ΔcH°solid | -3543.50 ± 5.70 | kJ/mol | NIST |
| ΔcH°solid | -3504.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 235.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 125.47 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [0.00; 39.10] | kJ/mol |
|
| ΔfH°solid | 39.10 ± 5.70 | kJ/mol | NIST |
| ΔfH°solid | 0.00 | kJ/mol | NIST |
| ΔfusH° | 15.34 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 85.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 53.17 | kJ/mol | Joback Calculated Property |
| IE | [7.20; 8.00] | eV |
|
| IE | 7.20 | eV | NIST |
| IE | 7.40 ± 0.10 | eV | NIST |
| IE | 7.36 | eV | NIST |
| IE | 8.00 | eV | NIST |
| IE | 7.45 | eV | NIST |
| IE | 7.78 | eV | NIST |
| IE | 7.69 | eV | NIST |
| log10WS | -0.42 | Aq. Sol... | |
| logPoct/wat | 0.851 | Crippen Calculated Property | |
| McVol | 91.600 | ml/mol | McGowan Calculated Property |
| Pc | 5374.91 | kPa | Joback Calculated Property |
| S°solid,1 bar | 152.09 | J/mol×K | NIST |
| Tboil | [460.20; 530.20] | K |
|
| Tboil | 530.20 | K | NIST |
| Tboil | 460.20 ± 1.00 | K | NIST |
| Tboil | 530.15 ± 2.00 | K | NIST |
| Tc | 757.17 | K | Joback Calculated Property |
| Tfus | [373.90; 377.00] | K |
|
| Tfus | 374.90 | K | Aq. Sol... |
| Tfus | 373.90 ± 0.50 | K | NIST |
| Tfus | 377.00 ± 0.20 | K | NIST |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.92; 247.46] | J/mol×K | [513.40; 757.17] |
|
| Cp,gas | 195.92 | J/mol×K | 513.40 | Joback Calculated Property |
| Cp,gas | 206.18 | J/mol×K | 554.03 | Joback Calculated Property |
| Cp,gas | 215.73 | J/mol×K | 594.66 | Joback Calculated Property |
| Cp,gas | 224.60 | J/mol×K | 635.29 | Joback Calculated Property |
| Cp,gas | 232.82 | J/mol×K | 675.91 | Joback Calculated Property |
| Cp,gas | 240.43 | J/mol×K | 716.54 | Joback Calculated Property |
| Cp,gas | 247.46 | J/mol×K | 757.17 | Joback Calculated Property |
| Cp,solid | [150.82; 162.13] | J/mol×K | [298.15; 300.00] |
|
| Cp,solid | 150.82 | J/mol×K | 298.15 | NIST |
| Cp,solid | 162.13 | J/mol×K | 300.00 | NIST |
| ΔfusH | [23.10; 23.10] | kJ/mol | [373.85; 373.90] |
|
| ΔfusH | 23.10 | kJ/mol | 373.85 | NIST |
| ΔfusH | 23.10 | kJ/mol | 373.90 | NIST |
| ΔfusH | 23.10 | kJ/mol | 373.90 | NIST |
| ΔfusS | 62.00 | J/mol×K | 373.85 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.39; 202.67] | kPa | [376.95; 561.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51586e+01 | |||
| Coefficient B | -4.67140e+03 | |||
| Coefficient C | -8.70030e+01 | |||
| Temperature range, min. | 376.95 | |||
| Temperature range, max. | 561.40 | |||
| Pvap | 0.39 | kPa | 376.95 | Calculated Property |
| Pvap | 1.12 | kPa | 397.44 | Calculated Property |
| Pvap | 2.84 | kPa | 417.94 | Calculated Property |
| Pvap | 6.46 | kPa | 438.43 | Calculated Property |
| Pvap | 13.44 | kPa | 458.93 | Calculated Property |
| Pvap | 25.91 | kPa | 479.42 | Calculated Property |
| Pvap | 46.77 | kPa | 499.92 | Calculated Property |
| Pvap | 79.86 | kPa | 520.41 | Calculated Property |
| Pvap | 129.92 | kPa | 540.91 | Calculated Property |
| Pvap | 202.67 | kPa | 561.40 | Calculated Property |
| Pvap | [0.43; 5155.31] | kPa | [376.95; 781.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.04531e+02 | |||
| Coefficient B | -1.20767e+04 | |||
| Coefficient C | -1.24573e+01 | |||
| Coefficient D | 4.01984e-06 | |||
| Temperature range, min. | 376.95 | |||
| Temperature range, max. | 781.00 | |||
| Pvap | 0.43 | kPa | 376.95 | Calculated Property |
| Pvap | 3.74 | kPa | 421.84 | Calculated Property |
| Pvap | 19.55 | kPa | 466.74 | Calculated Property |
| Pvap | 71.95 | kPa | 511.63 | Calculated Property |
| Pvap | 205.44 | kPa | 556.53 | Calculated Property |
| Pvap | 486.65 | kPa | 601.42 | Calculated Property |
| Pvap | 1002.96 | kPa | 646.32 | Calculated Property |
| Pvap | 1861.50 | kPa | 691.21 | Calculated Property |
| Pvap | 3191.99 | kPa | 736.11 | Calculated Property |
| Pvap | 5155.31 | kPa | 781.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenediamine.
Mixtures
- 1,2-Benzenediamine + Methyl Alcohol + Water
- Ethanol + 1,2-Benzenediamine + Water
- Acetonitrile + 1,2-Benzenediamine + Water
- 1,2-Benzenediamine + Water
- 1,2-Benzenediamine + Methyl Alcohol
- Ethanol + 1,2-Benzenediamine
- Acetonitrile + 1,2-Benzenediamine
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Solubility determination and correlation for o-phenylenediamine in (methanol, ethanol, acetonitrile and water) and their binary solvents from T = (283.15-318.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.