Chemical Properties of Pimelic acid, decyl 5-methoxy-3-methylpent-2-yl ester

InChI

InChI=1S/C24H46O5/c1-5-6-7-8-9-10-11-15-19-28-23(25)16-13-12-14-17-24(26)29-22(3)21(2)18-20-27-4/h21-22H,5-20H2,1-4H3

InChI Key

DESISGIMVBDWAR-UHFFFAOYSA-N

Formula

C24H46O5

SMILES

CCCCCCCCCCOC(=O)CCCCCC(=O)OC(C)C(C)CCOC

Molecular Weight¹

414.62

• 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	1.1331		Relay (1.0) Calculated Property
ΔfG°	-426.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1284.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.63	kJ/mol	Joback Calculated Property
ΔvapH°	108.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	6.225		Crippen Calculated Property
McVol	369.770	ml/mol	McGowan Calculated Property
Pc	849.49	kPa	Joback Calculated Property
Inp	[2743.00; 2743.00]
Inp	2743.00		NIST
Inp	2743.00		NIST
Tboil	643.33	K	Relay (1.0) Calculated Property
Tc	817.10	K	Relay (1.0) Calculated Property
Tfus	264.47	K	Relay (1.0) Calculated Property
Vc	1.387	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.53; 1345.19]	J/mol×K	[922.64; 1131.32]
Cp,gas	1250.53	J/mol×K	922.64	Joback Calculated Property
Cp,gas	1270.20	J/mol×K	957.42	Joback Calculated Property
Cp,gas	1288.29	J/mol×K	992.20	Joback Calculated Property
Cp,gas	1304.80	J/mol×K	1026.98	Joback Calculated Property
Cp,gas	1319.78	J/mol×K	1061.76	Joback Calculated Property
Cp,gas	1333.23	J/mol×K	1096.54	Joback Calculated Property
Cp,gas	1345.19	J/mol×K	1131.32	Joback Calculated Property
η	[0.0000181; 0.0004693]	Pa×s	[496.79; 922.64]
η	0.0004693	Pa×s	496.79	Joback Calculated Property
η	0.0001943	Pa×s	567.76	Joback Calculated Property
η	0.0000979	Pa×s	638.74	Joback Calculated Property
η	0.0000565	Pa×s	709.71	Joback Calculated Property
η	0.0000361	Pa×s	780.69	Joback Calculated Property
η	0.0000248	Pa×s	851.66	Joback Calculated Property
η	0.0000181	Pa×s	922.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, decyl 5-methoxy-3-methylpent-2-yl ester.

Sources

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

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