Chemical Properties of Diethylmalonic acid, heptadecyl 2-isopropylphenyl ester

InChI

InChI=1S/C33H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-36-31(34)33(7-2,8-3)32(35)37-30-26-23-22-25-29(30)28(4)5/h22-23,25-26,28H,6-21,24,27H2,1-5H3

InChI Key

JKQWUJVRSCIAIZ-UHFFFAOYSA-N

Formula

C33H56O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

516.80

• 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	1.2917		Relay (1.0) Calculated Property
ΔfG°	-137.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.52	kJ/mol	Joback Calculated Property
ΔvapH°	143.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-8.54		Relay (1.0) Calculated Property
logPoct/wat	9.936		Crippen Calculated Property
McVol	466.950	ml/mol	McGowan Calculated Property
Pc	640.60	kPa	Joback Calculated Property
Inp	[3344.00; 3344.00]
Inp	3344.00		NIST
Inp	3344.00		NIST
Tboil	694.21	K	Relay (1.0) Calculated Property
Tc	920.57	K	Relay (1.0) Calculated Property
Tfus	318.98	K	Relay (1.0) Calculated Property
Vc	1.727	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1690.20; 1784.03]	J/mol×K	[1135.01; 1415.49]
Cp,gas	1690.20	J/mol×K	1135.01	Joback Calculated Property
Cp,gas	1710.60	J/mol×K	1181.76	Joback Calculated Property
Cp,gas	1728.82	J/mol×K	1228.50	Joback Calculated Property
Cp,gas	1745.08	J/mol×K	1275.25	Joback Calculated Property
Cp,gas	1759.56	J/mol×K	1322.00	Joback Calculated Property
Cp,gas	1772.48	J/mol×K	1368.74	Joback Calculated Property
Cp,gas	1784.03	J/mol×K	1415.49	Joback Calculated Property
η	[0.0000050; 0.0001104]	Pa×s	[632.35; 1135.01]
η	0.0001104	Pa×s	632.35	Joback Calculated Property
η	0.0000488	Pa×s	716.13	Joback Calculated Property
η	0.0000256	Pa×s	799.90	Joback Calculated Property
η	0.0000152	Pa×s	883.68	Joback Calculated Property
η	0.0000098	Pa×s	967.46	Joback Calculated Property
η	0.0000068	Pa×s	1051.23	Joback Calculated Property
η	0.0000050	Pa×s	1135.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl 2-isopropylphenyl ester.

Sources

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

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