Chemical Properties of Phenol, 2,6-dichloro- (CAS 87-65-0)

InChI

InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChI Key

HOLHYSJJBXSLMV-UHFFFAOYSA-N

Formula

C6H4Cl2O

SMILES

Oc1c(Cl)cccc1Cl

Molecular Weight¹

163.00

CAS

87-65-0

Other Names

• 2,6-Dichlorfenol
• 2,6-Dichlorophenol
• Rcra waste number U082

• ω : Acentric Factor.
• 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).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_sub : Sublimation 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.4912		Relay (1.0) Calculated Property
ΔcH°solid	-2758.00 ± 0.70	kJ/mol	NIST
ΔfG°	-76.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.30 ± 1.50	kJ/mol	NIST
ΔfH°solid	-222.10 ± 1.10	kJ/mol	NIST
ΔfusH°	19.13	kJ/mol	Joback Calculated Property
ΔsubH°	[75.80; 79.30]	kJ/mol
ΔsubH°	79.30 ± 0.20	kJ/mol	NIST
ΔsubH°	75.80 ± 1.00	kJ/mol	NIST
ΔsubH°	75.80 ± 1.10	kJ/mol	NIST
ΔvapH°	[58.50; 59.60]	kJ/mol
ΔvapH°	59.60 ± 0.30	kJ/mol	NIST
ΔvapH°	58.50 ± 0.50	kJ/mol	NIST
IE	8.65 ± 0.02	eV	NIST
log10WS	[-1.79; -1.79]
log10WS	-1.79		Aq. Solubility Prediction
log10WS	-1.79		Estimated Solubility
logPoct/wat	2.699		Crippen Calculated Property
McVol	101.990	ml/mol	McGowan Calculated Property
Pc	5080.25	kPa	Joback Calculated Property
Inp	[203.40; 1228.00]
Inp	1200.00		NIST
Inp	1194.00		NIST
Inp	1189.00		NIST
Inp	1200.00		NIST
Inp	1214.00		NIST
Inp	1203.00		NIST
Inp	1206.00		NIST
Inp	1205.00		NIST
Inp	1213.00		NIST
Inp	1198.00		NIST
Inp	1179.00		NIST
Inp	1190.00		NIST
Inp	1223.20		NIST
Inp	1199.00		NIST
Inp	1149.00		NIST
Inp	1151.00		NIST
Inp	1178.00		NIST
Inp	1179.00		NIST
Inp	1168.00		NIST
Inp	1189.00		NIST
Inp	1227.00		NIST
Inp	1228.00		NIST
Inp	1206.00		NIST
Inp	Outlier 204.68		NIST
Inp	Outlier 203.40		NIST
I	[2038.00; 2124.00]
I	2097.00		NIST
I	2097.00		NIST
I	2081.00		NIST
I	2083.00		NIST
I	2119.00		NIST
I	2124.00		NIST
I	2061.00		NIST
I	Outlier 2038.00		NIST
I	2097.00		NIST
I	2119.00		NIST
Tboil	492.20	K	NIST
Tc	762.52	K	Relay (1.0) Calculated Property
Tfus	[340.00; 340.90]	K
Tfus	340.90	K	Aq. Solubility Prediction
Tfus	340.00 ± 0.20	K	NIST
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.59; 221.90]	J/mol×K	[523.82; 770.43]
Cp,gas	186.59	J/mol×K	523.82	Joback Calculated Property
Cp,gas	193.91	J/mol×K	564.92	Joback Calculated Property
Cp,gas	200.54	J/mol×K	606.02	Joback Calculated Property
Cp,gas	206.57	J/mol×K	647.12	Joback Calculated Property
Cp,gas	212.08	J/mol×K	688.23	Joback Calculated Property
Cp,gas	217.16	J/mol×K	729.33	Joback Calculated Property
Cp,gas	221.90	J/mol×K	770.43	Joback Calculated Property
η	[0.0000885; 0.0017868]	Pa×s	[367.88; 523.82]
η	0.0017868	Pa×s	367.88	Joback Calculated Property
η	0.0009180	Pa×s	393.87	Joback Calculated Property
η	0.0005122	Pa×s	419.86	Joback Calculated Property
η	0.0003059	Pa×s	445.85	Joback Calculated Property
η	0.0001933	Pa×s	471.84	Joback Calculated Property
η	0.0001282	Pa×s	497.83	Joback Calculated Property
η	0.0000885	Pa×s	523.82	Joback Calculated Property
ΔfusH	[22.14; 22.14]	kJ/mol	[340.00; 340.00]
ΔfusH	22.14	kJ/mol	340.00	NIST
ΔfusH	22.14	kJ/mol	340.00	NIST
ΔvapH	[51.60; 57.90]	kJ/mol	[356.00; 413.00]
ΔvapH	55.40	kJ/mol	356.00	NIST
ΔvapH	51.60	kJ/mol	400.00	NIST
ΔvapH	57.90	kJ/mol	413.00	NIST
Psub	[7.30e-03; 0.17]	kPa	[298.50; 331.30]
Psub	7.30e-03	kPa	298.50	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.01	kPa	301.60	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.01	kPa	304.60	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	307.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	310.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.03	kPa	313.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.04	kPa	316.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.06	kPa	319.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.08	kPa	322.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.10	kPa	325.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.13	kPa	328.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.17	kPa	331.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
ΔfusS	65.12	J/mol×K	340.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 202.66]	kPa	[333.00; 531.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60385e+01
Coefficient B			-5.31628e+03
Coefficient C			-3.63910e+01
Temperature range, min.			333.00
Temperature range, max.			531.99
Pvap	0.15	kPa	333.00	Calculated Property
Pvap	0.53	kPa	355.11	Calculated Property
Pvap	1.55	kPa	377.22	Calculated Property
Pvap	4.02	kPa	399.33	Calculated Property
Pvap	9.32	kPa	421.44	Calculated Property
Pvap	19.72	kPa	443.55	Calculated Property
Pvap	38.63	kPa	465.66	Calculated Property
Pvap	70.85	kPa	487.77	Calculated Property
Pvap	122.81	kPa	509.88	Calculated Property
Pvap	202.66	kPa	531.99	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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