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_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).
• 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
ΔfG°	-69.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.14	kJ/mol	Joback Calculated Property
ΔfusH°	18.45	kJ/mol	Joback Calculated Property
ΔvapH°	55.33	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.299		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Pc	2300.32	kPa	Joback Calculated Property
Inp	[1502.00; 1502.00]
Inp	1502.00		NIST
Inp	1502.00		NIST
Tboil	601.56	K	Joback Calculated Property
Tc	817.36	K	Joback Calculated Property
Tfus	349.79	K	Joback Calculated Property
Vc	0.668	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.22; 529.96]	J/mol×K	[601.56; 817.36]
Cp,gas	446.22	J/mol×K	601.56	Joback Calculated Property
Cp,gas	462.62	J/mol×K	637.53	Joback Calculated Property
Cp,gas	477.98	J/mol×K	673.49	Joback Calculated Property
Cp,gas	492.35	J/mol×K	709.46	Joback Calculated Property
Cp,gas	505.78	J/mol×K	745.43	Joback Calculated Property
Cp,gas	518.30	J/mol×K	781.39	Joback Calculated Property
Cp,gas	529.96	J/mol×K	817.36	Joback Calculated Property
η	[0.0001467; 0.0018655]	Pa×s	[349.79; 601.56]
η	0.0018655	Pa×s	349.79	Joback Calculated Property
η	0.0009730	Pa×s	391.75	Joback Calculated Property
η	0.0005756	Pa×s	433.71	Joback Calculated Property
η	0.0003736	Pa×s	475.67	Joback Calculated Property
η	0.0002601	Pa×s	517.64	Joback Calculated Property
η	0.0001911	Pa×s	559.60	Joback Calculated Property
η	0.0001467	Pa×s	601.56	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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