Chemical Properties of 1H-Pyrazole, 1-phenyl- (CAS 1126-00-7)

1H-Pyrazole, 1-phenyl-

InChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChI Key
WITMXBRCQWOZPX-UHFFFAOYSA-N
Formula
C9H8N2
SMILES
c1ccc(-n2cccn2)cc1
Molecular Weight1
144.17
CAS
1126-00-7
Other Names
  • 1-phenyl-1H-pyrazole
  • 1-phenylpyrazole
  • N-phenylpyrazole
  • pyrazole, 1-phenyl-
  • pyrazole, 2-phenyl-
  • pyrazole, N-phenyl-
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Physical Properties

Property Value Unit Source
ΔfH°gas 318.97 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 70.20 ± 3.40 kJ/mol NIST
logPoct/wat 1.872 Crippen Calculated Property
McVol 114.410 ml/mol McGowan Calculated Property
Tboil 551.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Pvap [2.58e-03; 0.29] kPa [294.20; 360.80] Show Hide
Pvap 2.58e-03 kPa 294.20 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 2.84e-03 kPa 295.20 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 3.24e-03 kPa 297.20 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 5.56e-03 kPa 303.20 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 9.13e-03 kPa 309.10 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.01 kPa 315.00 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.02 kPa 320.90 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.03 kPa 327.00 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.05 kPa 332.80 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.08 kPa 338.90 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.11 kPa 344.90 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.16 kPa 350.80 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.21 kPa 354.80 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap 0.29 kPa 360.80 Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 414.70 K 4.00 NIST

Similar Compounds

1H-Pyrazole, 5-methyl-1-phenyl-. 3,5-DIMETHYL-1-PHENYLPYRAZOLE. 1-Phenyl-3-methyl-5-aminopyrazole. 5-Amino-1-phenylpyrazole-4-carbonitrile. brompyrazone. 5-Methyl-1-phenylpyrazole-4-carboxylic acid. 2-(P-chlorophenyl)-1(2h)-phthalazone. 5-Amino-1-phenylpyrazole-4-carboxamide. Pyraclofos. Carbamic acid, dimethyl-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester. 1H-Benzotriazole, 1-phenyl-. 4-Amino-1-phenylpyrazolo(3,4-e)pyrimidine. Sydnone, 3-phenyl-. Pyridaphenthion oxon. Pyrazon.

Find more compounds similar to 1H-Pyrazole, 1-phenyl-.

Sources

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