Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl propyl ester

InChI

InChI=1S/C17H24O5/c1-6-11-20-15(18)17(4,5)16(19)22-14-10-8-7-9-13(14)21-12(2)3/h7-10,12H,6,11H2,1-5H3

InChI Key

YQLZNIGRZGYMNG-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

CCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

308.37

• 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°	-377.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-805.00	kJ/mol	Joback Calculated Property
ΔfusH°	29.26	kJ/mol	Joback Calculated Property
ΔvapH°	75.41	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	3.359		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Inp	[1901.00; 1901.00]
Inp	1901.00		NIST
Inp	1901.00		NIST
Tboil	791.35	K	Joback Calculated Property
Tc	1001.53	K	Joback Calculated Property
Tfus	474.26	K	Joback Calculated Property
Vc	0.928	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.88; 810.76]	J/mol×K	[791.35; 1001.53]
Cp,gas	734.88	J/mol×K	791.35	Joback Calculated Property
Cp,gas	750.34	J/mol×K	826.38	Joback Calculated Property
Cp,gas	764.65	J/mol×K	861.41	Joback Calculated Property
Cp,gas	777.82	J/mol×K	896.44	Joback Calculated Property
Cp,gas	789.89	J/mol×K	931.47	Joback Calculated Property
Cp,gas	800.86	J/mol×K	966.50	Joback Calculated Property
Cp,gas	810.76	J/mol×K	1001.53	Joback Calculated Property
η	[0.0000462; 0.0005979]	Pa×s	[474.26; 791.35]
η	0.0005979	Pa×s	474.26	Joback Calculated Property
η	0.0003151	Pa×s	527.11	Joback Calculated Property
η	0.0001866	Pa×s	579.96	Joback Calculated Property
η	0.0001206	Pa×s	632.80	Joback Calculated Property
η	0.0000834	Pa×s	685.65	Joback Calculated Property
η	0.0000608	Pa×s	738.50	Joback Calculated Property
η	0.0000462	Pa×s	791.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl propyl ester.

Sources

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

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