Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-acetylphenyl ester

InChI

InChI=1S/C17H22O5/c1-11(2)13(4)21-16(19)9-10-17(20)22-15-7-5-14(6-8-15)12(3)18/h5-8,11,13H,9-10H2,1-4H3

InChI Key

SAYBTAKJMVDACF-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

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

Molecular Weight¹

306.35

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8250		Relay (1.0) Calculated Property
ΔfG°	-406.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.56	kJ/mol	Joback Calculated Property
ΔvapH°	90.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[2334.00; 2334.00]
Inp	2334.00		NIST
Inp	2334.00		NIST
Tboil	617.07	K	Relay (1.0) Calculated Property
Tc	828.87	K	Relay (1.0) Calculated Property
Tfus	356.39	K	Relay (1.0) Calculated Property
Vc	0.885	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.72; 789.09]	J/mol×K	[825.59; 1038.03]
Cp,gas	721.72	J/mol×K	825.59	Joback Calculated Property
Cp,gas	735.75	J/mol×K	861.00	Joback Calculated Property
Cp,gas	748.64	J/mol×K	896.40	Joback Calculated Property
Cp,gas	760.40	J/mol×K	931.81	Joback Calculated Property
Cp,gas	771.05	J/mol×K	967.22	Joback Calculated Property
Cp,gas	780.61	J/mol×K	1002.62	Joback Calculated Property
Cp,gas	789.09	J/mol×K	1038.03	Joback Calculated Property
η	[0.0000672; 0.0008322]	Pa×s	[484.54; 825.59]
η	0.0008322	Pa×s	484.54	Joback Calculated Property
η	0.0004390	Pa×s	541.38	Joback Calculated Property
η	0.0002615	Pa×s	598.22	Joback Calculated Property
η	0.0001704	Pa×s	655.06	Joback Calculated Property
η	0.0001189	Pa×s	711.91	Joback Calculated Property
η	0.0000875	Pa×s	768.75	Joback Calculated Property
η	0.0000672	Pa×s	825.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-acetylphenyl ester.

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.