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

InChI

InChI=1S/C24H46O4/c1-7-10-11-12-13-18-27-22(25)24(8-2,9-3)23(26)28-19-17-21(6)16-14-15-20(4)5/h20-21H,7-19H2,1-6H3

InChI Key

DSAAMKKSTMYUQR-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

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

Molecular Weight¹

398.62

• 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	0.9899		Relay (1.0) Calculated Property
ΔfG°	-318.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1155.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.03	kJ/mol	Joback Calculated Property
ΔvapH°	102.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	6.702		Crippen Calculated Property
McVol	363.900	ml/mol	McGowan Calculated Property
Pc	867.60	kPa	Joback Calculated Property
Inp	[2328.00; 2328.00]
Inp	2328.00		NIST
Inp	2328.00		NIST
Tboil	624.61	K	Relay (1.0) Calculated Property
Tc	805.77	K	Relay (1.0) Calculated Property
Tfus	258.33	K	Relay (1.0) Calculated Property
Vc	1.342	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1218.49; 1318.20]	J/mol×K	[896.99; 1098.18]
Cp,gas	1218.49	J/mol×K	896.99	Joback Calculated Property
Cp,gas	1238.28	J/mol×K	930.52	Joback Calculated Property
Cp,gas	1256.73	J/mol×K	964.05	Joback Calculated Property
Cp,gas	1273.90	J/mol×K	997.59	Joback Calculated Property
Cp,gas	1289.84	J/mol×K	1031.12	Joback Calculated Property
Cp,gas	1304.59	J/mol×K	1064.65	Joback Calculated Property
Cp,gas	1318.20	J/mol×K	1098.18	Joback Calculated Property
η	[0.0000191; 0.0006687]	Pa×s	[476.98; 896.99]
η	0.0006687	Pa×s	476.98	Joback Calculated Property
η	0.0002530	Pa×s	546.98	Joback Calculated Property
η	0.0001193	Pa×s	616.98	Joback Calculated Property
η	0.0000656	Pa×s	686.99	Joback Calculated Property
η	0.0000403	Pa×s	756.99	Joback Calculated Property
η	0.0000269	Pa×s	826.99	Joback Calculated Property
η	0.0000191	Pa×s	896.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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