Chemical Properties of Hydroxyl radical (CAS 3352-57-6)

InChI

InChI=1S/HO/h1H

InChI Key

TUJKJAMUKRIRHC-UHFFFAOYSA-N

Formula

HO

SMILES

[OH]

Molecular Weight¹

17.01

CAS

3352-57-6

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	593.20	kJ/mol	NIST
BasG	564.00	kJ/mol	NIST
EA	[1.80; 1.89]	eV
EA	1.83	eV	NIST
EA	1.83 ± 0.00	eV	NIST
EA	1.83 ± 0.01	eV	NIST
EA	1.82 ± 0.00	eV	NIST
EA	1.83 ± 0.04	eV	NIST
EA	1.80 ± 0.20	eV	NIST
EA	1.80	eV	NIST
EA	Outlier 1.89 ± 0.12	eV	NIST
ΔfusH°	1.53	kJ/mol	Joback Calculated Property
IE	[12.88; 13.50]	eV
IE	13.02 ± 0.00	eV	NIST
IE	13.02 ± 0.00	eV	NIST
IE	13.01	eV	NIST
IE	12.88	eV	NIST
IE	Outlier 13.50 ± 1.00	eV	NIST
IE	12.94	eV	NIST
IE	13.20 ± 0.10	eV	NIST
IE	13.01	eV	NIST
logPoct/wat	-0.177		Crippen Calculated Property
McVol	14.580	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[29.98; 32.05]	J/mol×K	[298.00; 1300.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.22777e+01
Coefficient B			-1.13629e+01
Coefficient C			1.36054e+01
Coefficient D			-3.84649e+00
Coefficient E			-1.33500e-03
Reference			Chase, 1998
Comment			F=29.75113, G=225.5783, H=38.98706; Data last reviewed in June, 1977
Temperature range, min.			298.00
Temperature range, max.			1300.00
Cp,gas	29.98	J/mol×K	298.00	Calculated Property
Cp,gas	29.63	J/mol×K	409.33	Calculated Property
Cp,gas	29.50	J/mol×K	520.67	Calculated Property
Cp,gas	29.56	J/mol×K	632.00	Calculated Property
Cp,gas	29.77	J/mol×K	743.33	Calculated Property
Cp,gas	30.10	J/mol×K	854.67	Calculated Property
Cp,gas	30.53	J/mol×K	966.00	Calculated Property
Cp,gas	31.02	J/mol×K	1077.33	Calculated Property
Cp,gas	31.53	J/mol×K	1188.67	Calculated Property
Cp,gas	32.05	J/mol×K	1300.00	Calculated Property
Cp,gas	[31.99; 39.45]	J/mol×K	[1300.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.87470e+01
Coefficient B			4.71449e+00
Coefficient C			-8.14725e-01
Coefficient D			5.47480e-02
Coefficient E			-2.74783e+00
Reference			Chase, 1998
Comment			F=26.41439, G=214.1166, H=38.98706; Data last reviewed in June, 1977
Temperature range, min.			1300.00
Temperature range, max.			6000.00
Cp,gas	31.99	J/mol×K	1300.00	Calculated Property
Cp,gas	34.14	J/mol×K	1822.22	Calculated Property
Cp,gas	35.53	J/mol×K	2344.44	Calculated Property
Cp,gas	36.52	J/mol×K	2866.67	Calculated Property
Cp,gas	37.26	J/mol×K	3388.89	Calculated Property
Cp,gas	37.82	J/mol×K	3911.11	Calculated Property
Cp,gas	38.27	J/mol×K	4433.33	Calculated Property
Cp,gas	38.65	J/mol×K	4955.56	Calculated Property
Cp,gas	39.03	J/mol×K	5477.78	Calculated Property
Cp,gas	39.45	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0185735; 0.0002253]	Pa×s	[166.95; 313.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.34254e+01
Coefficient B			1.57590e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			166.95
Temperature range, max.			313.46
η	0.0185735	Pa×s	166.95	Calculated Property
η	0.0080292	Pa×s	183.23	Calculated Property
η	0.0039800	Pa×s	199.51	Calculated Property
η	0.0021933	Pa×s	215.79	Calculated Property
η	0.0013140	Pa×s	232.07	Calculated Property
η	0.0008419	Pa×s	248.35	Calculated Property
η	0.0005698	Pa×s	264.63	Calculated Property
η	0.0004035	Pa×s	280.90	Calculated Property
η	0.0002968	Pa×s	297.18	Calculated Property
η	0.0002253	Pa×s	313.46	Calculated Property

Similar Compounds

Find more compounds similar to Hydroxyl radical.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

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