- InChI
- InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
- InChI Key
- YBRVSVVVWCFQMG-UHFFFAOYSA-N
- Formula
- C13H14N2
- SMILES
- Nc1ccc(Cc2ccc(N)cc2)cc1
- Molecular Weight1
- 198.26
- CAS
- 101-77-9
- Other Names
-
- 4,4'-Diaminodiphenylmethan
- 4,4'-Diphenylmethanediamine
- 4,4'-Methylenebis(benzeneamine)
- 4,4'-Methylenebis[aniline]
- 4,4'-Methylenedianiline
- 4,4'-Methylenedibenzenamine
- 4,4'-diaminodiphenylmethane
- 4,4'-methylenebisbenzenamine
- 4,4'-methylenedianilin
- 4,4-Methylenedianiline
- 4-(4-Aminobenzyl)aniline
- Ancamine TL
- Araldite hardener 972
- Bis(aminophenyl)methane
- Bis-p-aminofenylmethan
- Curithane
- DADPM
- DDM
- Di(4-aminophenyl)methane
- Diaminodiphenylmethane
- Dianiline, 4,4'-methylene-
- Dianilinemethane
- Epicure DDM
- Epikure DDM
- HT 972
- Jeffamine AP-20
- MDA
- Methylenebis[aniline]
- Methylenedianiline
- NCI-C54604
- NSC 4709
- Sumicure M
- Tonox
- UN 2651
- aniline, 4,4'-methylenedi-
- bis(4-aminophenyl)methane
- bis(p-aminophenyl)methane
- di-(p-aminophenyl)methane
- p,p'-Diaminodifenylmethan
- p,p'-Diaminodiphenylmethane
- p,p'-Methylenedianiline
- p-Toluidine, «alpha»-(p-aminophenyl)-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.6646 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7200.00 ± 20.00 | kJ/mol | NIST |
| ΔfH°gas | 194.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.20; 7.75] | eV |
|
| IE | 7.20 | eV | NIST |
| IE | 7.75 ± 0.05 | eV | NIST |
| log10WS | -2.30 | Aq. Solubility Prediction | |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 166.470 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Tboil | 640.48 | K | Relay (1.0) Calculated Property |
| Tc | 905.34 | K | Relay (1.0) Calculated Property |
| Tfus | [363.70; 366.00] | K |
|
| Tfus | 364.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 364.40 | K | Aq. Solubility Prediction |
| Tfus | 366.00 | K | NIST |
| Tfus | 363.80 ± 0.50 | K | NIST |
| Tfus | 363.70 ± 0.50 | K | NIST |
| Tfus | 366.00 | K | NIST |
| Tfus | 363.80 ± 0.50 | K | NIST |
| Tfus | 363.70 ± 0.50 | K | NIST |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [66.50; 270.90] | J/mol×K | [298.00; 388.00] |
|
| Cp,solid | 270.90 | J/mol×K | 298.00 | NIST |
| Cp,solid | 66.50 | J/mol×K | 298.00 | NIST |
| Cp,solid | 227.20 | J/mol×K | 388.00 | NIST |
| ΔfusH | [9.22; 19.69] | kJ/mol | [362.70; 363.70] |
|
| ΔfusH | 19.69 | kJ/mol | 362.70 | NIST |
| ΔfusH | 9.23 | kJ/mol | 363.70 | NIST |
| ΔfusH | 9.23 | kJ/mol | 363.70 | NIST |
| ΔfusH | 9.22 | kJ/mol | 363.70 | NIST |
| ΔfusH | 9.22 | kJ/mol | 363.70 | NIST |
| ΔvapH | [89.00; 109.30] | kJ/mol | [368.00; 515.50] |
|
| ΔvapH | 109.30 | kJ/mol | 368.00 | NIST |
| ΔvapH | 89.00 ± 2.00 | kJ/mol | 471.00 | NIST |
| ΔvapH | 100.60 | kJ/mol | 508.00 | NIST |
| ΔvapH | 98.00 | kJ/mol | 515.50 | NIST |
| ΔfusS | [25.40; 25.40] | J/mol×K | [363.70; 363.70] |
|
| ΔfusS | 25.40 | J/mol×K | 363.70 | NIST |
| ΔfusS | 25.40 | J/mol×K | 363.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.60; 518.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.51590e+01 | |||
| Coefficient B | 1.08580e+00 | |||
| Coefficient C | -6.98520e-04 | |||
| Coefficient D | 1.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 399.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 459.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 482.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 502.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 518.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.19; 5.22] | kPa | [471.00; 545.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.77674e+00 | |||
| Coefficient B | -9.64293e+02 | |||
| Coefficient C | -3.56851e+02 | |||
| Reference | Zalikin and Strepikheev, 1966 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 471.00 | |||
| Temperature range, max. | 545.00 | |||
| Pvap | 0.19 | kPa | 471.00 | Calculated Property |
| Pvap | 0.33 | kPa | 479.22 | Calculated Property |
| Pvap | 0.54 | kPa | 487.44 | Calculated Property |
| Pvap | 0.84 | kPa | 495.67 | Calculated Property |
| Pvap | 1.24 | kPa | 503.89 | Calculated Property |
| Pvap | 1.76 | kPa | 512.11 | Calculated Property |
| Pvap | 2.41 | kPa | 520.33 | Calculated Property |
| Pvap | 3.19 | kPa | 528.56 | Calculated Property |
| Pvap | 4.13 | kPa | 536.78 | Calculated Property |
| Pvap | 5.22 | kPa | 545.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4,4'-methylenebis-.
Mixtures
- Benzenamine, 4,4'-methylenebis- + Methyl Alcohol
- Ethanol + Benzenamine, 4,4'-methylenebis-
- 2-Propanol + Benzenamine, 4,4'-methylenebis-
- 1-Butanol + Benzenamine, 4,4'-methylenebis-
- Benzene + Benzenamine, 4,4'-methylenebis-
- Toluene + Benzenamine, 4,4'-methylenebis-
- Trichloromethane + Benzenamine, 4,4'-methylenebis-
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Measurement and Correlation of the Solubility for 4,4'-Diaminodiphenylmethane in Different Solvents
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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