Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H27ClO4/c1-13(11-19(3,4)5)12-23-17(21)8-9-18(22)24-15-6-7-16(20)14(2)10-15/h6-7,10,13H,8-9,11-12H2,1-5H3

InChI Key

RXOMKGPKYMBOPH-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

Cc1cc(OC(=O)CCC(=O)OCC(C)CC(C)(C)C)ccc1Cl

Molecular Weight¹

354.87

• 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°	-277.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.27	kJ/mol	Joback Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	82.50	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	4.950		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	857.10	K	Joback Calculated Property
Tc	1070.03	K	Joback Calculated Property
Tfus	517.01	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[846.94; 920.08]	J/mol×K	[857.10; 1070.03]
Cp,gas	846.94	J/mol×K	857.10	Joback Calculated Property
Cp,gas	861.89	J/mol×K	892.59	Joback Calculated Property
Cp,gas	875.69	J/mol×K	928.08	Joback Calculated Property
Cp,gas	888.37	J/mol×K	963.56	Joback Calculated Property
Cp,gas	899.97	J/mol×K	999.05	Joback Calculated Property
Cp,gas	910.53	J/mol×K	1034.54	Joback Calculated Property
Cp,gas	920.08	J/mol×K	1070.03	Joback Calculated Property
η	[0.0000399; 0.0004705]	Pa×s	[517.01; 857.10]
η	0.0004705	Pa×s	517.01	Joback Calculated Property
η	0.0002545	Pa×s	573.69	Joback Calculated Property
η	0.0001537	Pa×s	630.37	Joback Calculated Property
η	0.0001009	Pa×s	687.05	Joback Calculated Property
η	0.0000706	Pa×s	743.74	Joback Calculated Property
η	0.0000520	Pa×s	800.42	Joback Calculated Property
η	0.0000399	Pa×s	857.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2,4,4-trimethylpentyl ester.

Sources

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

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