Chemical Properties of Hydroquinone, isoBOC

InChI

InChI=1S/C16H22O6/c1-11(2)9-19-15(17)21-13-5-7-14(8-6-13)22-16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChI Key

MOURESOROCNEAM-UHFFFAOYSA-N

Formula

C16H22O6

SMILES

CC(C)COC(=O)Oc1ccc(OC(=O)OCC(C)C)cc1

Molecular Weight¹

310.34

• 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).
• I_np : Non-polar retention indices.
• 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	0.9106		Relay (1.0) Calculated Property
ΔfH°gas	-1111.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.92	kJ/mol	Joback Calculated Property
ΔvapH°	91.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.029		Crippen Calculated Property
McVol	239.160	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[2099.00; 2099.00]
Inp	2099.00		NIST
Inp	2099.00		NIST
Tboil	617.61	K	Relay (1.0) Calculated Property
Tc	774.84	K	Relay (1.0) Calculated Property
Tfus	300.71	K	Relay (1.0) Calculated Property
Vc	0.908	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	[694.47; 767.92]	J/mol×K	[757.74; 959.39]
Cp,gas	694.47	J/mol×K	757.74	Joback Calculated Property
Cp,gas	709.64	J/mol×K	791.35	Joback Calculated Property
Cp,gas	723.66	J/mol×K	824.96	Joback Calculated Property
Cp,gas	736.50	J/mol×K	858.57	Joback Calculated Property
Cp,gas	748.17	J/mol×K	892.18	Joback Calculated Property
Cp,gas	758.64	J/mol×K	925.78	Joback Calculated Property
Cp,gas	767.92	J/mol×K	959.39	Joback Calculated Property
η	[0.0000362; 0.0009579]	Pa×s	[408.14; 757.74]
η	0.0009579	Pa×s	408.14	Joback Calculated Property
η	0.0003945	Pa×s	466.41	Joback Calculated Property
η	0.0001978	Pa×s	524.67	Joback Calculated Property
η	0.0001139	Pa×s	582.94	Joback Calculated Property
η	0.0000725	Pa×s	641.21	Joback Calculated Property
η	0.0000497	Pa×s	699.47	Joback Calculated Property
η	0.0000362	Pa×s	757.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hydroquinone, isoBOC.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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