Chemical Properties of Diethylmalonic acid, di(2-isopropoxyphenyl) ester

InChI

InChI=1S/C25H32O6/c1-7-25(8-2,23(26)30-21-15-11-9-13-19(21)28-17(3)4)24(27)31-22-16-12-10-14-20(22)29-18(5)6/h9-18H,7-8H2,1-6H3

InChI Key

LRFCRCDFEBRGMX-UHFFFAOYSA-N

Formula

C25H32O6

SMILES

CCC(CC)(C(=O)Oc1ccccc1OC(C)C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

428.52

• 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	0.9499		Relay (1.0) Calculated Property
ΔfG°	-314.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.30	kJ/mol	Joback Calculated Property
ΔvapH°	115.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	5.578		Crippen Calculated Property
McVol	342.210	ml/mol	McGowan Calculated Property
Pc	1194.82	kPa	Joback Calculated Property
Inp	[2707.00; 2707.00]
Inp	2707.00		NIST
Inp	2707.00		NIST
Tboil	665.43	K	Relay (1.0) Calculated Property
Tc	929.36	K	Relay (1.0) Calculated Property
Tfus	376.30	K	Relay (1.0) Calculated Property
Vc	1.244	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1130.50; 1179.15]	J/mol×K	[1028.03; 1263.21]
Cp,gas	1130.50	J/mol×K	1028.03	Joback Calculated Property
Cp,gas	1142.87	J/mol×K	1067.23	Joback Calculated Property
Cp,gas	1153.48	J/mol×K	1106.42	Joback Calculated Property
Cp,gas	1162.36	J/mol×K	1145.62	Joback Calculated Property
Cp,gas	1169.58	J/mol×K	1184.82	Joback Calculated Property
Cp,gas	1175.16	J/mol×K	1224.01	Joback Calculated Property
Cp,gas	1179.15	J/mol×K	1263.21	Joback Calculated Property
η	[0.0000095; 0.0001290]	Pa×s	[610.59; 1028.03]
η	0.0001290	Pa×s	610.59	Joback Calculated Property
η	0.0000669	Pa×s	680.16	Joback Calculated Property
η	0.0000391	Pa×s	749.74	Joback Calculated Property
η	0.0000251	Pa×s	819.31	Joback Calculated Property
η	0.0000172	Pa×s	888.88	Joback Calculated Property
η	0.0000125	Pa×s	958.46	Joback Calculated Property
η	0.0000095	Pa×s	1028.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2-isopropoxyphenyl) 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.