- InChI
- InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
- InChI Key
- OWRCNXZUPFZXOS-UHFFFAOYSA-N
- Formula
- C13H13N3
- SMILES
- N=C(Nc1ccccc1)Nc1ccccc1
- Molecular Weight1
- 211.26
- CAS
- 102-06-7
- Other Names
-
- 1,3-Difenylguanid
- 1,3-diphenylguanidine
- Accelerator D
- Akrochem DPG
- D.P.G
- DFG
- DPG
- DPG accelerator
- Denax
- Denax DPG
- Dwufenyloguanidyna
- Melaniline
- N,N'-diphenylguanidine
- NCI-C60924
- NSC 3272
- Nocceler D
- Perkacit DPG
- Sanceler D
- Sym-diphenylguanidine
- USAF B-19
- USAF EK-1270
- Vanax DPG
- Vulcacid D
- Vulcafor DPG
- Vulcaid DPG
- Vulkacit D
- Vulkacit D/C
- Vulkacite D
- Vulkazit
- diphenylguanidine
- guanidine, 1,3-diphenyl-
- melanilne
- s-Diphenylguanidine
- soxinol D
- sym-diphenylguanidne
- 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7127 | Relay (1.0) Calculated Property | |
| ΔfG° | 665.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 244.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.145 | Crippen Calculated Property | |
| McVol | 172.150 | ml/mol | McGowan Calculated Property |
| Pc | 6696.40 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 597.79 | K | Relay (1.0) Calculated Property |
| Tc | 978.50 | K | Relay (1.0) Calculated Property |
| Tfus | [421.15; 422.65] | K |
|
| Tfus | 421.15 | K | Solubility determination and thermodynamic dissolution functions of 1,3-diphenylguanidine in nine organic solvents at evaluated temperatures |
| Tfus | 422.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.05; 535.82] | 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 | -1.00660e+02 | |||
| Coefficient B | 1.34228e+00 | |||
| Coefficient C | -9.66600e-04 | |||
| Coefficient D | 2.60800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 264.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 411.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 445.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 474.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 498.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 519.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.82 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Guanidine, N,N'-diphenyl-.
Mixtures
- Acetonitrile + Guanidine, N,N'-diphenyl-
- Ethyl Acetate + Guanidine, N,N'-diphenyl-
- Ethanol + Guanidine, N,N'-diphenyl-
- 1-Propanol + Guanidine, N,N'-diphenyl-
- 2-Propanol + Guanidine, N,N'-diphenyl-
- Acetone + Guanidine, N,N'-diphenyl-
- Toluene + Guanidine, N,N'-diphenyl-
- 1-Butanol + Guanidine, N,N'-diphenyl-
- 1-Propanol, 2-methyl- + Guanidine, N,N'-diphenyl-
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)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility determination and thermodynamic dissolution functions of 1,3-diphenylguanidine in nine organic solvents at evaluated temperatures
- Solubility of 2-Chlorophenylacetic Acid in 12 Pure Solvents from T = (273.15/283.15 to 318.15) K: Determination and Modeling
- Joback Method
- McGowan Method
- NIST Webbook
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