Chemical Properties of ISOBUTYL P-HYDROXYBENZOATE

InChI

InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

InChI Key

XPJVKCRENWUEJH-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

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

Molecular Weight¹

194.23

Other Names

• Isobutyl p-hydroxybenzoate
• p-Hydroxybenzoic acid iso-butyl ester
• Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
• Benzoic acid, p-hydroxy-, isobutyl ester
• p-Oxybenzoesaureisobutylester
• Isobutylparaben
• Methylpropyl p-hydroxybenzoate

• 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	0.6990		Relay (1.0) Calculated Property
ΔfH°gas	-527.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.92	kJ/mol	Joback Calculated Property
ΔvapH°	79.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-2.81		Relay (1.0) Calculated Property
logPoct/wat	2.205		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	3152.62	kPa	Joback Calculated Property
Inp	[1699.00; 1699.00]
Inp	1699.00		NIST
Inp	1699.00		NIST
Tboil	573.03	K	Relay (1.0) Calculated Property
Tc	763.60	K	Relay (1.0) Calculated Property
Tfus	367.23	K	Relay (1.0) Calculated Property
Vc	0.552	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	[395.64; 463.85]	J/mol×K	[616.36; 838.25]
Cp,gas	395.64	J/mol×K	616.36	Joback Calculated Property
Cp,gas	409.10	J/mol×K	653.34	Joback Calculated Property
Cp,gas	421.63	J/mol×K	690.32	Joback Calculated Property
Cp,gas	433.31	J/mol×K	727.30	Joback Calculated Property
Cp,gas	444.19	J/mol×K	764.28	Joback Calculated Property
Cp,gas	454.35	J/mol×K	801.27	Joback Calculated Property
Cp,gas	463.85	J/mol×K	838.25	Joback Calculated Property
η	[0.0000240; 0.0019214]	Pa×s	[379.20; 616.36]
η	0.0019214	Pa×s	379.20	Joback Calculated Property
η	0.0006555	Pa×s	418.73	Joback Calculated Property
η	0.0002692	Pa×s	458.25	Joback Calculated Property
η	0.0001274	Pa×s	497.78	Joback Calculated Property
η	0.0000673	Pa×s	537.31	Joback Calculated Property
η	0.0000388	Pa×s	576.83	Joback Calculated Property
η	0.0000240	Pa×s	616.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to ISOBUTYL P-HYDROXYBENZOATE.

Sources

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

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