Chemical Properties of Phenol, 3-chloro- (CAS 108-43-0)

InChI

InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChI Key

HORNXRXVQWOLPJ-UHFFFAOYSA-N

Formula

C6H5ClO

SMILES

Oc1cccc(Cl)c1

Molecular Weight¹

128.56

CAS

108-43-0

Other Names

• 3-Chlorophenol
• 3-Hydroxychlorobenzene
• NSC 59700
• Phenol, m-chloro-
• m-Chlorophenic acid
• m-Chlorophenol
• meta-Chlorophenol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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_subH : Enthalpy of sublimation at a given temperature (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_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	0.4649		Relay (1.0) Calculated Property
ΔcH°liquid	-2910.00 ± 8.40	kJ/mol	NIST
ΔcH°solid	-2890.00 ± 8.00	kJ/mol	NIST
ΔfG°	-54.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-126.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.32	kJ/mol	Joback Calculated Property
ΔsubH°	76.90 ± 0.30	kJ/mol	NIST
ΔvapH°	63.50 ± 0.30	kJ/mol	NIST
IE	[8.65; 8.68]	eV
IE	8.65 ± 0.00	eV	NIST
IE	8.65 ± 0.00	eV	NIST
IE	8.68 ± 0.00	eV	NIST
IE	8.65 ± 0.03	eV	NIST
log10WS	[-0.70; -0.70]
log10WS	-0.70		Aq. Solubility Prediction
log10WS	-0.70		Estimated Solubility
logPoct/wat	2.046		Crippen Calculated Property
McVol	89.750	ml/mol	McGowan Calculated Property
Pc	5478.85	kPa	Joback Calculated Property
Inp	[1157.00; 1207.00]
Inp	1157.00		NIST
Inp	1159.00		NIST
Inp	1157.00		NIST
Inp	1161.00		NIST
Inp	1189.00		NIST
Inp	1194.00		NIST
Inp	1171.00		NIST
Inp	1169.00		NIST
Inp	1165.00		NIST
Inp	1167.00		NIST
Inp	1203.30		NIST
Inp	1198.00		NIST
Inp	1170.00		NIST
Inp	1207.00		NIST
Inp	1159.00		NIST
Inp	1200.00		NIST
Inp	1203.00		NIST
Inp	1194.00		NIST
Inp	1173.00		NIST
Inp	1194.00		NIST
I	[2333.00; 2380.00]
I	2371.00		NIST
I	2371.00		NIST
I	2371.00		NIST
I	2380.00		NIST
I	2364.00		NIST
I	2333.00		NIST
I	2350.00		NIST
I	2345.00		NIST
I	2378.00		NIST
I	2345.00		NIST
Tboil	487.20	K	NIST
Tc	736.72	K	Relay (1.0) Calculated Property
Tfus	[305.50; 306.08]	K
Tfus	306.08	K	Aq. Solubility Prediction
Tfus	305.50	K	Solid liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes
Tfus	305.80 ± 0.20	K	NIST
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.36; 208.73]	J/mol×K	[481.41; 721.38]
Cp,gas	167.36	J/mol×K	481.41	Joback Calculated Property
Cp,gas	176.00	J/mol×K	521.40	Joback Calculated Property
Cp,gas	183.82	J/mol×K	561.40	Joback Calculated Property
Cp,gas	190.92	J/mol×K	601.39	Joback Calculated Property
Cp,gas	197.38	J/mol×K	641.39	Joback Calculated Property
Cp,gas	203.28	J/mol×K	681.38	Joback Calculated Property
Cp,gas	208.73	J/mol×K	721.38	Joback Calculated Property
η	[0.0001241; 0.0044385]	Pa×s	[325.44; 481.41]
η	0.0044385	Pa×s	325.44	Joback Calculated Property
η	0.0019615	Pa×s	351.44	Joback Calculated Property
η	0.0009700	Pa×s	377.43	Joback Calculated Property
η	0.0005253	Pa×s	403.42	Joback Calculated Property
η	0.0003064	Pa×s	429.42	Joback Calculated Property
η	0.0001900	Pa×s	455.41	Joback Calculated Property
η	0.0001241	Pa×s	481.41	Joback Calculated Property
ΔfusH	[14.90; 14.91]	kJ/mol	[305.80; 305.80]
ΔfusH	14.90	kJ/mol	305.80	NIST
ΔfusH	14.91	kJ/mol	305.80	NIST
ΔfusH	14.91	kJ/mol	305.80	NIST
ΔsubH	53.00 ± 1.00	kJ/mol	301.00	NIST
ΔvapH	[53.10; 61.90]	kJ/mol	[321.50; 402.00]
ΔvapH	61.90	kJ/mol	321.50	NIST
ΔvapH	53.10	kJ/mol	402.00	NIST
Psub	[8.20e-04; 0.02]	kPa	[275.30; 306.00]
Psub	8.20e-04	kPa	275.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	9.50e-04	kPa	276.60	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	1.15e-03	kPa	278.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	1.49e-03	kPa	280.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	2.12e-03	kPa	283.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	2.62e-03	kPa	285.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	3.66e-03	kPa	288.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	5.09e-03	kPa	291.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	7.21e-03	kPa	294.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	9.99e-03	kPa	297.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.01	kPa	300.30	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	302.20	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub	0.02	kPa	306.00	Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
ΔfusS	48.74	J/mol×K	305.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[359.36; 454.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.34612e+01
Coefficient B			-7.98338e+03
Coefficient C			-1.48550e+01
Temperature range, min.			359.36
Temperature range, max.			454.72
Pvap	1.33	kPa	359.36	Calculated Property
Pvap	2.66	kPa	369.96	Calculated Property
Pvap	5.11	kPa	380.55	Calculated Property
Pvap	9.44	kPa	391.15	Calculated Property
Pvap	16.88	kPa	401.74	Calculated Property
Pvap	29.26	kPa	412.34	Calculated Property
Pvap	49.29	kPa	422.93	Calculated Property
Pvap	80.87	kPa	433.53	Calculated Property
Pvap	129.48	kPa	444.12	Calculated Property
Pvap	202.66	kPa	454.72	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-chloro-.

Mixtures

• Phenol, 3-chloro- + Phenol, 4-chloro-
• 2-Propanol, 2-methyl- + Phenol, 3-chloro-
• 2-Propanol, 2-methyl- + Phenol, 3-chloro- + Phenol, 4-chloro-
• Phenol, 3-chloro- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solid liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes
• 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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.