Chemical Properties of Phenol, 2,3-dichloro- (CAS 576-24-9)

InChI

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

InChI Key

UMPSXRYVXUPCOS-UHFFFAOYSA-N

Formula

C6H4Cl2O

SMILES

Oc1cccc(Cl)c1Cl

Molecular Weight¹

163.00

CAS

576-24-9

Other Names

• 2,3-Dichlorophenol

• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4941		Relay (1.0) Calculated Property
ΔcH°solid	-2756.88	kJ/mol	NIST
ΔfG°	-76.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.60 ± 2.50	kJ/mol	NIST
ΔfH°solid	-223.30 ± 1.10	kJ/mol	NIST
ΔfusH°	19.13	kJ/mol	Joback Calculated Property
ΔsubH°	[71.70; 76.90]	kJ/mol
ΔsubH°	76.90 ± 0.40	kJ/mol	NIST
ΔsubH°	71.70 ± 2.20	kJ/mol	NIST
ΔsubH°	71.70 ± 2.20	kJ/mol	NIST
ΔvapH°	57.30 ± 0.20	kJ/mol	NIST
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	[-1.30; -1.30]
log10WS	-1.30		Aq. Solubility Prediction
log10WS	-1.30		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	[1144.00; 1200.00]
Inp	1180.00		NIST
Inp	1169.00		NIST
Inp	1180.00		NIST
Inp	1188.00		NIST
Inp	1173.00		NIST
Inp	1155.00		NIST
Inp	1165.00		NIST
Inp	1193.50		NIST
Inp	Outlier 1144.00		NIST
Inp	1200.00		NIST
Inp	1200.00		NIST
Inp	1193.50		NIST
Inp	1200.00		NIST
I	[2107.00; 2160.00]
I	2160.00		NIST
I	2160.00		NIST
I	2143.00		NIST
I	2152.00		NIST
I	2131.00		NIST
I	2107.00		NIST
I	2117.00		NIST
Tboil	479.20	K	NIST
Tc	793.51	K	Relay (1.0) Calculated Property
Tfus	[330.00; 330.82]	K
Tfus	330.82	K	Aq. Solubility Prediction
Tfus	330.00 ± 0.20	K	NIST
Vc	0.354	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	[21.36; 21.36]	kJ/mol	[330.00; 330.00]
ΔfusH	21.36	kJ/mol	330.00	NIST
ΔfusH	21.36	kJ/mol	330.00	NIST
ΔfusH	21.36	kJ/mol	330.00	NIST
Psub	[7.80e-03; 0.18]	kPa	[294.30; 327.30]
Psub	7.80e-03	kPa	294.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.01	kPa	297.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.01	kPa	300.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	303.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.03	kPa	306.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.04	kPa	309.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.05	kPa	312.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.06	kPa	315.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.08	kPa	318.10	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.11	kPa	321.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.14	kPa	324.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.18	kPa	327.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
ΔfusS	64.74	J/mol×K	330.00	NIST

Similar Compounds

Find more compounds similar to Phenol, 2,3-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

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