Chemical Properties of 4-Butylbenzoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C19H22O2/c1-4-5-6-16-7-9-17(10-8-16)19(20)21-18-12-14(2)11-15(3)13-18/h7-13H,4-6H2,1-3H3

InChI Key

XASPIHMVPNXWQD-UHFFFAOYSA-N

Formula

C19H22O2

SMILES

CCCCc1ccc(C(=O)Oc2cc(C)cc(C)c2)cc1

Molecular Weight¹

282.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.25	kJ/mol	Joback Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-6.13		Relay (1.0) Calculated Property
logPoct/wat	4.865		Crippen Calculated Property
McVol	238.490	ml/mol	McGowan Calculated Property
Inp	[2291.00; 2291.00]
Inp	2291.00		NIST
Inp	2291.00		NIST
Tboil	637.79	K	Relay (1.0) Calculated Property
Tfus	296.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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,gas	[674.38; 756.78]	J/mol×K	[760.84; 982.79]
Cp,gas	674.38	J/mol×K	760.84	Joback Calculated Property
Cp,gas	691.09	J/mol×K	797.83	Joback Calculated Property
Cp,gas	706.56	J/mol×K	834.82	Joback Calculated Property
Cp,gas	720.82	J/mol×K	871.81	Joback Calculated Property
Cp,gas	733.92	J/mol×K	908.81	Joback Calculated Property
Cp,gas	745.89	J/mol×K	945.80	Joback Calculated Property
Cp,gas	756.78	J/mol×K	982.79	Joback Calculated Property
η	[0.0000767; 0.0008001]	Pa×s	[436.62; 760.84]
η	0.0008001	Pa×s	436.62	Joback Calculated Property
η	0.0004365	Pa×s	490.66	Joback Calculated Property
η	0.0002686	Pa×s	544.69	Joback Calculated Property
η	0.0001804	Pa×s	598.73	Joback Calculated Property
η	0.0001294	Pa×s	652.77	Joback Calculated Property
η	0.0000977	Pa×s	706.80	Joback Calculated Property
η	0.0000767	Pa×s	760.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 3,5-dimethylphenyl ester.

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
• 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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