Chemical Properties of Pimelic acid, propyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H34O4/c1-6-12-21-16(19)10-8-7-9-11-17(20)22-14-15(2)13-18(3,4)5/h15H,6-14H2,1-5H3

InChI Key

LJFKMHZLDFNQOC-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCOC(=O)CCCCCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

314.46

• 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	0.8598		Relay (... Calculated Property
ΔfG°	-366.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1067.53	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
ΔvapH°	81.51	kJ/mol	Relay (... Calculated Property
IE	9.26	eV	Relay (... Calculated Property
log10WS	-4.51		Relay (... Calculated Property
logPoct/wat	4.506		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1251.26	kPa	Joback Calculated Property
Inp	[1582.00; 1582.00]
Inp	1582.00		NIST
Inp	1582.00		NIST
Tboil	594.35	K	Relay (... Calculated Property
Tc	747.10	K	Relay (... Calculated Property
Tfus	254.44	K	Relay (... Calculated Property
Vc	1.044	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.53; 943.57]	J/mol×K	[760.15; 944.42]
Cp,gas	851.53	J/mol×K	760.15	Joback Calculated Property
Cp,gas	869.25	J/mol×K	790.86	Joback Calculated Property
Cp,gas	885.98	J/mol×K	821.57	Joback Calculated Property
Cp,gas	901.76	J/mol×K	852.29	Joback Calculated Property
Cp,gas	916.60	J/mol×K	883.00	Joback Calculated Property
Cp,gas	930.53	J/mol×K	913.71	Joback Calculated Property
Cp,gas	943.57	J/mol×K	944.42	Joback Calculated Property
η	[0.0000532; 0.0012334]	Pa×s	[424.36; 760.15]
η	0.0012334	Pa×s	424.36	Joback Calculated Property
η	0.0005382	Pa×s	480.32	Joback Calculated Property
η	0.0002793	Pa×s	536.29	Joback Calculated Property
η	0.0001640	Pa×s	592.25	Joback Calculated Property
η	0.0001056	Pa×s	648.22	Joback Calculated Property
η	0.0000729	Pa×s	704.18	Joback Calculated Property
η	0.0000532	Pa×s	760.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, propyl 2,4,4-trimethylpentyl ester.

Sources

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

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