Chemical Properties of Diethylmalonic acid, 3,7-dimethyloctyl hexadecyl ester

InChI

InChI=1S/C33H64O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-31(34)33(8-2,9-3)32(35)37-28-26-30(6)25-23-24-29(4)5/h29-30H,7-28H2,1-6H3

InChI Key

SBIPXPRVASVWRY-UHFFFAOYSA-N

Formula

C33H64O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCCC(C)C

Molecular Weight¹

524.86

• 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	1.3088		Relay (1.0) Calculated Property
ΔfG°	-242.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1332.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.34	kJ/mol	Joback Calculated Property
ΔvapH°	137.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-9.07		Relay (1.0) Calculated Property
logPoct/wat	10.213		Crippen Calculated Property
McVol	490.710	ml/mol	McGowan Calculated Property
Pc	551.30	kPa	Joback Calculated Property
Inp	[3219.00; 3219.00]
Inp	3219.00		NIST
Inp	3219.00		NIST
Tboil	686.16	K	Relay (1.0) Calculated Property
Tc	870.36	K	Relay (1.0) Calculated Property
Tfus	285.03	K	Relay (1.0) Calculated Property
Vc	1.837	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1802.97; 1920.24]	J/mol×K	[1102.91; 1398.00]
Cp,gas	1802.97	J/mol×K	1102.91	Joback Calculated Property
Cp,gas	1828.61	J/mol×K	1152.09	Joback Calculated Property
Cp,gas	1851.50	J/mol×K	1201.27	Joback Calculated Property
Cp,gas	1871.88	J/mol×K	1250.46	Joback Calculated Property
Cp,gas	1889.98	J/mol×K	1299.64	Joback Calculated Property
Cp,gas	1906.02	J/mol×K	1348.82	Joback Calculated Property
Cp,gas	1920.24	J/mol×K	1398.00	Joback Calculated Property
η	[0.0000043; 0.0001678]	Pa×s	[578.41; 1102.91]
η	0.0001678	Pa×s	578.41	Joback Calculated Property
η	0.0000608	Pa×s	665.83	Joback Calculated Property
η	0.0000279	Pa×s	753.24	Joback Calculated Property
η	0.0000151	Pa×s	840.66	Joback Calculated Property
η	0.0000091	Pa×s	928.08	Joback Calculated Property
η	0.0000060	Pa×s	1015.49	Joback Calculated Property
η	0.0000043	Pa×s	1102.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl hexadecyl ester.

Sources

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

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