Chemical Properties of Phenol, 2,5-dichloro- (CAS 583-78-8)

InChI

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

InChI Key

RANCECPPZPIPNO-UHFFFAOYSA-N

Formula

C6H4Cl2O

SMILES

Oc1cc(Cl)ccc1Cl

Molecular Weight¹

163.00

CAS

583-78-8

Other Names

• 2,5-dichlorophenol

• 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_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_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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-2748.10 ± 0.90	kJ/mol	NIST
ΔfH°gas	-158.40 ± 2.40	kJ/mol	NIST
ΔfH°solid	-232.00 ± 1.20	kJ/mol	NIST
ΔfusH°	19.13	kJ/mol	Joback Calculated Property
ΔsubH°	[73.60; 77.30]	kJ/mol
ΔsubH°	77.30 ± 0.10	kJ/mol	NIST
ΔsubH°	73.60 ± 2.10	kJ/mol	NIST
ΔsubH°	73.60 ± 2.10	kJ/mol	NIST
ΔvapH°	56.70 ± 0.10	kJ/mol	NIST
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	2.699		Crippen Calculated Property
McVol	101.990	ml/mol	McGowan Calculated Property
Inp	[1140.00; 1192.00]
Inp	1170.00		NIST
Inp	1165.00		NIST
Inp	1162.00		NIST
Inp	1170.00		NIST
Inp	1181.00		NIST
Inp	1166.00		NIST
Inp	1149.00		NIST
Inp	1156.00		NIST
Inp	1188.60		NIST
Inp	1178.00		NIST
Inp	Outlier 1140.00		NIST
Inp	1162.00		NIST
Inp	1192.00		NIST
Inp	1190.00		NIST
Inp	1188.60		NIST
Inp	1166.00		NIST
Inp	1162.00		NIST
I	[2105.00; 2160.00]
I	2160.00		NIST
I	2160.00		NIST
I	2143.00		NIST
I	2152.00		NIST
I	2131.00		NIST
I	2105.00		NIST
I	2115.00		NIST
I	2131.00		NIST
I	2160.00		NIST
Tboil	484.20	K	NIST
Tfus	[331.00; 332.00]	K
Tfus	331.00 ± 0.20	K	NIST
Tfus	332.00 ± 5.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.63; 221.93]	J/mol×K	[524.02; 770.72]
Cp,gas	186.63	J/mol×K	524.02	Joback Calculated Property
Cp,gas	193.95	J/mol×K	565.14	Joback Calculated Property
Cp,gas	200.58	J/mol×K	606.25	Joback Calculated Property
Cp,gas	206.60	J/mol×K	647.37	Joback Calculated Property
Cp,gas	212.11	J/mol×K	688.49	Joback Calculated Property
Cp,gas	217.19	J/mol×K	729.61	Joback Calculated Property
Cp,gas	221.93	J/mol×K	770.72	Joback Calculated Property
η	[0.0000883; 0.0017868]	Pa×s	[367.88; 524.02]
η	0.0017868	Pa×s	367.88	Joback Calculated Property
η	0.0009173	Pa×s	393.90	Joback Calculated Property
η	0.0005115	Pa×s	419.93	Joback Calculated Property
η	0.0003053	Pa×s	445.95	Joback Calculated Property
η	0.0001929	Pa×s	471.97	Joback Calculated Property
η	0.0001279	Pa×s	498.00	Joback Calculated Property
η	0.0000883	Pa×s	524.02	Joback Calculated Property
ΔfusH	[22.43; 22.43]	kJ/mol	[331.00; 331.00]
ΔfusH	22.43	kJ/mol	331.00	NIST
ΔfusH	22.43	kJ/mol	331.00	NIST
ΔfusH	22.43	kJ/mol	331.00	NIST
ΔvapH	53.10	kJ/mol	347.00	NIST
Psub	[8.90e-03; 0.21]	kPa	[294.30; 327.40]
Psub	8.90e-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	0.02	kPa	300.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	303.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.03	kPa	306.30	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	0.07	kPa	315.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.09	kPa	318.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.13	kPa	321.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.16	kPa	324.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.21	kPa	327.40	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
ΔfusS	67.78	J/mol×K	331.00	NIST

Similar Compounds

Find more compounds similar to Phenol, 2,5-dichloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Investigating the solubility of chlorophenols in hydrophobic ionic liquids
• Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
• Joback Method
• McGowan Method
• NIST Webbook

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