- InChI
- InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
- InChI Key
- GRRIYLZJLGTQJX-UHFFFAOYSA-N
- Formula
- C14H12N2O2
- SMILES
- O=C(NNC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 240.26
- CAS
- 787-84-8
- Other Names
-
- 1,2-Dibenzoylhydrazine
- Dibenzoylhydrazine
- Hydrazine, 1,2-dibenzoyl-
- N'-benzoylbenzohydrazide
- N,N'-Dibenzoylhydrazine
- N2-Benzoylbenzoic acid hydrazide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.6794 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7022.40; -7010.30] | kJ/mol |
|
| ΔcH°solid | -7022.40 ± 6.30 | kJ/mol | NIST |
| ΔcH°solid | -7010.30 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -7010.30 ± 6.70 | kJ/mol | NIST |
| ΔfG° | 212.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-213.80; -202.00] | kJ/mol |
|
| ΔfH°solid | -202.00 | kJ/mol | NIST |
| ΔfH°solid | -213.80 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.761 | Crippen Calculated Property | |
| McVol | 183.700 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 614.21 | K | Relay (1.0) Calculated Property |
| Tc | 949.11 | K | Relay (1.0) Calculated Property |
| Tfus | 460.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.66; 561.10] | J/mol×K | [781.36; 1027.18] |
|
| Cp,gas | 503.66 | J/mol×K | 781.36 | Joback Calculated Property |
| Cp,gas | 515.83 | J/mol×K | 822.33 | Joback Calculated Property |
| Cp,gas | 526.84 | J/mol×K | 863.30 | Joback Calculated Property |
| Cp,gas | 536.79 | J/mol×K | 904.27 | Joback Calculated Property |
| Cp,gas | 545.76 | J/mol×K | 945.24 | Joback Calculated Property |
| Cp,gas | 553.84 | J/mol×K | 986.21 | Joback Calculated Property |
| Cp,gas | 561.10 | J/mol×K | 1027.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-benzoylhydrazide.
Sources
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