Chemical Properties of 4-(1,1-Dimethylpropyl)phenyl acetate

InChI

InChI=1S/C13H18O2/c1-5-13(3,4)11-6-8-12(9-7-11)15-10(2)14/h6-9H,5H2,1-4H3

InChI Key

SLRPYKPCRFYYCV-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCC(C)(C)c1ccc(OC(C)=O)cc1

Molecular Weight¹

206.28

Other Names

• 4-tert-Pentylphenol acetate
• 1-Acetyloxy-4-(1,1-dimethylpropyl)benzene
• 4-(1,1-Dimethylpropyl)phenol acetate

• 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).
• 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
ΔfH°gas	-424.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.03	kJ/mol	Joback Calculated Property
ΔvapH°	69.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	3.299		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Inp	[1502.00; 1502.00]
Inp	1502.00		NIST
Inp	1502.00		NIST
Tboil	530.28	K	Relay (1.0) Calculated Property
Tfus	298.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[440.86; 526.22]	J/mol×K	[583.69; 797.25]
Cp,gas	440.86	J/mol×K	583.69	Joback Calculated Property
Cp,gas	457.66	J/mol×K	619.28	Joback Calculated Property
Cp,gas	473.38	J/mol×K	654.88	Joback Calculated Property
Cp,gas	488.05	J/mol×K	690.47	Joback Calculated Property
Cp,gas	501.72	J/mol×K	726.07	Joback Calculated Property
Cp,gas	514.43	J/mol×K	761.66	Joback Calculated Property
Cp,gas	526.22	J/mol×K	797.25	Joback Calculated Property
η	[0.0001347; 0.0027928]	Pa×s	[319.96; 583.69]
η	0.0027928	Pa×s	319.96	Joback Calculated Property
η	0.0012418	Pa×s	363.91	Joback Calculated Property
η	0.0006576	Pa×s	407.87	Joback Calculated Property
η	0.0003940	Pa×s	451.82	Joback Calculated Property
η	0.0002586	Pa×s	495.78	Joback Calculated Property
η	0.0001817	Pa×s	539.73	Joback Calculated Property
η	0.0001347	Pa×s	583.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(1,1-Dimethylpropyl)phenyl acetate.

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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