Chemical Properties of 4-(2-hydroxy-2-propyl)benzaldehyde

InChI

InChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3

InChI Key

RCUMJJBGXUQSOF-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC(C)(O)c1ccc(C=O)cc1

Molecular Weight¹

164.20

• ω : Acentric Factor.
• 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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6611		Relay (1.0) Calculated Property
ΔfG°	-97.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.27	kJ/mol	Joback Calculated Property
ΔvapH°	82.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	1.726		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[1365.00; 1365.00]
Inp	1365.00		NIST
Inp	1365.00		NIST
Tboil	531.11	K	Relay (1.0) Calculated Property
Tc	782.16	K	Relay (1.0) Calculated Property
Tfus	349.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[331.43; 388.85]	J/mol×K	[597.67; 805.90]
Cp,gas	331.43	J/mol×K	597.67	Joback Calculated Property
Cp,gas	342.79	J/mol×K	632.37	Joback Calculated Property
Cp,gas	353.37	J/mol×K	667.08	Joback Calculated Property
Cp,gas	363.22	J/mol×K	701.78	Joback Calculated Property
Cp,gas	372.38	J/mol×K	736.49	Joback Calculated Property
Cp,gas	380.91	J/mol×K	771.19	Joback Calculated Property
Cp,gas	388.85	J/mol×K	805.90	Joback Calculated Property
η	[0.0000897; 0.0054341]	Pa×s	[346.64; 597.67]
η	0.0054341	Pa×s	346.64	Joback Calculated Property
η	0.0018972	Pa×s	388.48	Joback Calculated Property
η	0.0008128	Pa×s	430.32	Joback Calculated Property
η	0.0004047	Pa×s	472.15	Joback Calculated Property
η	0.0002257	Pa×s	513.99	Joback Calculated Property
η	0.0001374	Pa×s	555.83	Joback Calculated Property
η	0.0000897	Pa×s	597.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2-hydroxy-2-propyl)benzaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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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