Chemical Properties of 9-anthrol

InChI

InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H

InChI Key

AUKRYONWZHRJRE-UHFFFAOYSA-N

Formula

C14H10O

SMILES

Oc1c2ccccc2cc2ccccc12

Molecular Weight¹

194.23

Other Names

• 1-anthranol

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion 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).
• 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	0.6190		Relay (1.0) Calculated Property
ΔfH°gas	36.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.49	kJ/mol	Joback Calculated Property
ΔvapH°	101.75	kJ/mol	Relay (1.0) Calculated Property
IE	7.06	eV	Relay (1.0) Calculated Property
log10WS	[-4.73; -4.73]
log10WS	-4.73		Aq. Solubility Prediction
log10WS	-4.73		Estimated Solubility
logPoct/wat	3.699		Crippen Calculated Property
McVol	151.310	ml/mol	McGowan Calculated Property
Pc	3872.29	kPa	Joback Calculated Property
Tboil	625.07	K	Relay (1.0) Calculated Property
Tc	944.13	K	Relay (1.0) Calculated Property
Tfus	480.29	K	Relay (1.0) Calculated Property
Vc	0.540	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.14; 445.57]	J/mol×K	[670.16; 932.45]
Cp,gas	381.14	J/mol×K	670.16	Joback Calculated Property
Cp,gas	393.66	J/mol×K	713.87	Joback Calculated Property
Cp,gas	405.16	J/mol×K	757.59	Joback Calculated Property
Cp,gas	415.88	J/mol×K	801.30	Joback Calculated Property
Cp,gas	426.04	J/mol×K	845.02	Joback Calculated Property
Cp,gas	435.86	J/mol×K	888.73	Joback Calculated Property
Cp,gas	445.57	J/mol×K	932.45	Joback Calculated Property
η	[0.0000589; 0.0006150]	Pa×s	[463.60; 670.16]
η	0.0006150	Pa×s	463.60	Joback Calculated Property
η	0.0003634	Pa×s	498.03	Joback Calculated Property
η	0.0002299	Pa×s	532.45	Joback Calculated Property
η	0.0001537	Pa×s	566.88	Joback Calculated Property
η	0.0001076	Pa×s	601.31	Joback Calculated Property
η	0.0000783	Pa×s	635.73	Joback Calculated Property
η	0.0000589	Pa×s	670.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-anthrol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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