Chemical Properties of Benzene, pentachloro- (CAS 608-93-5)

InChI

InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChI Key

CEOCDNVZRAIOQZ-UHFFFAOYSA-N

Formula

C6HCl5

SMILES

Clc1cc(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

250.34

CAS

608-93-5

Other Names

• 1,2,3,4,5-Pentachlorobenzene
• PCP
• Pentachlorobenzene
• QCB
• Rcra waste number U183

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-2502.10 ± 0.80	kJ/mol	NIST
EA	0.73 ± 0.09	eV	NIST
ΔfG°	13.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-40.00 ± 8.70	kJ/mol	NIST
ΔfusH°	24.77	kJ/mol	Joback Calculated Property
ΔsubH°	87.10 ± 0.40	kJ/mol	NIST
ΔvapH°	67.70	kJ/mol	NIST
IE	[8.80; 9.21]	eV
IE	8.80	eV	NIST
IE	9.21 ± 0.03	eV	NIST
IE	9.11	eV	NIST
log10WS	[-5.65; -5.65]
log10WS	-5.65		Aq. Sol...
log10WS	-5.65		Estimat...
logPoct/wat	4.954		Crippen Calculated Property
McVol	132.840	ml/mol	McGowan Calculated Property
Pc	3427.87	kPa	Joback Calculated Property
Inp	[254.80; 1546.00]
Inp	1527.40		NIST
Inp	1514.40		NIST
Inp	1514.40		NIST
Inp	1523.20		NIST
Inp	1505.24		NIST
Inp	1466.57		NIST
Inp	1484.65		NIST
Inp	1496.00		NIST
Inp	1525.00		NIST
Inp	1496.00		NIST
Inp	1505.00		NIST
Inp	1525.00		NIST
Inp	1487.83		NIST
Inp	1502.28		NIST
Inp	1510.54		NIST
Inp	1504.00		NIST
Inp	1492.00		NIST
Inp	1496.00		NIST
Inp	1483.00		NIST
Inp	1509.00		NIST
Inp	1478.00		NIST
Inp	1496.00		NIST
Inp	1546.00		NIST
Inp	1501.00		NIST
Inp	1504.00		NIST
Inp	Outlier 262.00		NIST
Inp	Outlier 260.10		NIST
Inp	Outlier 260.09		NIST
Inp	Outlier 255.63		NIST
Inp	Outlier 254.80		NIST
Inp	1527.40		NIST
Inp	1466.57		NIST
Inp	1505.00		NIST
Inp	1509.00		NIST
Inp	Outlier 262.00		NIST
I	[1998.10; 2061.39]
I	1998.10		NIST
I	2026.20		NIST
I	2059.80		NIST
I	1999.00		NIST
I	2027.00		NIST
I	2061.39		NIST
I	2037.50		NIST
I	2056.73		NIST
I	2028.86		NIST
Tboil	550.20	K	NIST
Tc	821.83	K	Joback Calculated Property
Tfus	357.70 ± 0.20	K	NIST
Ttriple	357.00 ± 0.03	K	NIST
Vc	0.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.34; 228.29]	J/mol×K	[570.43; 821.83]
Cp,gas	202.34	J/mol×K	570.43	Joback Calculated Property
Cp,gas	207.59	J/mol×K	612.33	Joback Calculated Property
Cp,gas	212.45	J/mol×K	654.23	Joback Calculated Property
Cp,gas	216.94	J/mol×K	696.13	Joback Calculated Property
Cp,gas	221.06	J/mol×K	738.03	Joback Calculated Property
Cp,gas	224.84	J/mol×K	779.93	Joback Calculated Property
Cp,gas	228.29	J/mol×K	821.83	Joback Calculated Property
η	[0.0002871; 0.0010893]	Pa×s	[383.48; 570.43]
η	0.0010893	Pa×s	383.48	Joback Calculated Property
η	0.0008024	Pa×s	414.64	Joback Calculated Property
η	0.0006168	Pa×s	445.80	Joback Calculated Property
η	0.0004907	Pa×s	476.96	Joback Calculated Property
η	0.0004015	Pa×s	508.11	Joback Calculated Property
η	0.0003362	Pa×s	539.27	Joback Calculated Property
η	0.0002871	Pa×s	570.43	Joback Calculated Property
ΔfusH	[20.10; 20.60]	kJ/mol	[357.00; 357.70]
ΔfusH	20.10	kJ/mol	357.00	NIST
ΔfusH	20.60	kJ/mol	357.70	NIST
ΔfusH	20.60	kJ/mol	357.70	NIST
ΔvapH	[62.10; 66.00]	kJ/mol	[357.00; 460.00]
ΔvapH	66.00	kJ/mol	357.00	NIST
ΔvapH	62.10	kJ/mol	460.00	NIST
ΔfusS	56.30	J/mol×K	357.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[417.16; 583.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43191e+01
Coefficient B			-4.18161e+03
Coefficient C			-1.19138e+02
Temperature range, min.			417.16
Temperature range, max.			583.37
Pvap	1.33	kPa	417.16	Calculated Property
Pvap	3.02	kPa	435.63	Calculated Property
Pvap	6.27	kPa	454.10	Calculated Property
Pvap	12.03	kPa	472.56	Calculated Property
Pvap	21.65	kPa	491.03	Calculated Property
Pvap	36.85	kPa	509.50	Calculated Property
Pvap	59.79	kPa	527.97	Calculated Property
Pvap	93.02	kPa	546.43	Calculated Property
Pvap	139.53	kPa	564.90	Calculated Property
Pvap	202.65	kPa	583.37	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, pentachloro-.

Mixtures

• Benzene, pentachloro- + Water

Sources

• Crippen Method
• Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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