Chemical Properties of Guanine (CAS 73-40-5)

InChI

InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChI Key

UYTPUPDQBNUYGX-UHFFFAOYSA-N

Formula

C5H5N5O

SMILES

Nc1nc2nc[nH]c2c(=O)[nH]1

Molecular Weight¹

151.13

CAS

73-40-5

Other Names

• 6H-Purin-6-one, 2-amino-1,7-dihydro-
• C.I. Natural White 1
• C.I. 75170
• Dew Pearl
• Guanin
• Guanine enol
• Hypoxanthine, 2-amino-
• Mearlmaid
• Natural Pearl Essence
• Naturon
• Pathocidin
• Pearl Essence
• Stella Polaris
• 2-Amino-6-hydroxypurine
• 2-Aminohypoxanthine
• 2-Amino-1,7-dihydro-6H-purin-6-one
• 6H-Purin-6-one, 2-amino-1,9-dihydro-
• Natural White 1

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	959.50	kJ/mol	NIST
BasG	927.60	kJ/mol	NIST
ΔcH°solid	-2498.20 ± 0.79	kJ/mol	NIST
ΔfH°solid	-183.90 ± 0.84	kJ/mol	NIST
IE	[7.85; 8.24]	eV
IE	7.85	eV	NIST
IE	8.00 ± 0.20	eV	NIST
IE	8.24 ± 0.03	eV	NIST
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	-1.735		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
S°solid,1 bar	160.20	J/mol×K	NIST

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 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,solid	[156.94; 160.70]	J/mol×K	[296.70; 298.00]
Cp,solid	156.94	J/mol×K	296.70	NIST
Cp,solid	160.70	J/mol×K	298.00	NIST
ΔsubH	168.30 ± 0.60	kJ/mol	365.00	NIST

Similar Compounds

Find more compounds similar to Guanine.

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
• McGowan Method
• NIST Webbook

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.
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