Chemical Properties of 1-Chloropyrene (CAS 34244-14-9)

InChI

InChI=1S/C16H9Cl/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

InChI Key

WNYHOOQHJMHHQW-UHFFFAOYSA-N

Formula

C16H9Cl

SMILES

Clc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

236.70

CAS

34244-14-9

Other Names

• Pyrene, 1-chloro-
• 3-Chloropyrene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.97; 480.80]	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			-8.16400e+01
Coefficient B			1.33730e+00
Coefficient C			-1.21276e-03
Coefficient D			4.37900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.97	J/mol×K	273.00	Calculated Property
Cp,gas	259.07	J/mol×K	353.78	Calculated Property
Cp,gas	306.41	J/mol×K	434.56	Calculated Property
Cp,gas	345.37	J/mol×K	515.33	Calculated Property
Cp,gas	377.35	J/mol×K	596.11	Calculated Property
Cp,gas	403.71	J/mol×K	676.89	Calculated Property
Cp,gas	425.85	J/mol×K	757.67	Calculated Property
Cp,gas	445.16	J/mol×K	838.44	Calculated Property
Cp,gas	463.01	J/mol×K	919.22	Calculated Property
Cp,gas	480.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029082; 0.0014770]	Pa×s	[392.15; 667.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.48320e+00
Coefficient B			6.44300e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			392.15
Temperature range, max.			667.33
η	0.0029082	Pa×s	392.15	Calculated Property
η	0.0025824	Pa×s	422.73	Calculated Property
η	0.0023301	Pa×s	453.30	Calculated Property
η	0.0021299	Pa×s	483.88	Calculated Property
η	0.0019679	Pa×s	514.45	Calculated Property
η	0.0018344	Pa×s	545.03	Calculated Property
η	0.0017227	Pa×s	575.60	Calculated Property
η	0.0016281	Pa×s	606.18	Calculated Property
η	0.0015471	Pa×s	636.76	Calculated Property
η	0.0014770	Pa×s	667.33	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloropyrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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