Chemical Properties of Dimethylmalonic acid, dodecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C26H42O5/c1-6-7-8-9-10-11-12-13-14-17-20-29-24(27)26(4,5)25(28)31-23-19-16-15-18-22(23)30-21(2)3/h15-16,18-19,21H,6-14,17,20H2,1-5H3

InChI Key

YIEZQINOCHYMDQ-UHFFFAOYSA-N

Formula

C26H42O5

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

434.61

• 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	1.1144		Relay (1.0) Calculated Property
ΔfG°	-301.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1099.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.57	kJ/mol	Joback Calculated Property
ΔvapH°	113.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-6.32		Relay (1.0) Calculated Property
logPoct/wat	6.870		Crippen Calculated Property
McVol	374.190	ml/mol	McGowan Calculated Property
Pc	920.50	kPa	Joback Calculated Property
Inp	[2749.00; 2749.00]
Inp	2749.00		NIST
Inp	2749.00		NIST
Tboil	646.36	K	Relay (1.0) Calculated Property
Tc	869.96	K	Relay (1.0) Calculated Property
Tfus	308.57	K	Relay (1.0) Calculated Property
Vc	1.414	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1273.39; 1350.57]	J/mol×K	[997.27; 1221.01]
Cp,gas	1273.39	J/mol×K	997.27	Joback Calculated Property
Cp,gas	1290.07	J/mol×K	1034.56	Joback Calculated Property
Cp,gas	1305.15	J/mol×K	1071.85	Joback Calculated Property
Cp,gas	1318.68	J/mol×K	1109.14	Joback Calculated Property
Cp,gas	1330.72	J/mol×K	1146.43	Joback Calculated Property
Cp,gas	1341.33	J/mol×K	1183.72	Joback Calculated Property
Cp,gas	1350.57	J/mol×K	1221.01	Joback Calculated Property
η	[0.0000115; 0.0001987]	Pa×s	[575.69; 997.27]
η	0.0001987	Pa×s	575.69	Joback Calculated Property
η	0.0000955	Pa×s	645.95	Joback Calculated Property
η	0.0000530	Pa×s	716.22	Joback Calculated Property
η	0.0000327	Pa×s	786.48	Joback Calculated Property
η	0.0000218	Pa×s	856.74	Joback Calculated Property
η	0.0000155	Pa×s	927.01	Joback Calculated Property
η	0.0000115	Pa×s	997.27	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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