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

InChI

InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33-28(31)22-19-18-20-23-29(32)34-26-27(2)25-30(3,4)5/h27H,6-26H2,1-5H3

InChI Key

VXIHKKKORHAFTN-UHFFFAOYSA-N

Formula

C30H58O4

SMILES

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

Molecular Weight¹

482.78

• 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	1.2859		Relay (1.0) Calculated Property
ΔfG°	-265.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1302.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.09	kJ/mol	Joback Calculated Property
ΔvapH°	125.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-8.41		Relay (1.0) Calculated Property
logPoct/wat	9.187		Crippen Calculated Property
McVol	448.440	ml/mol	McGowan Calculated Property
Pc	631.61	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	680.19	K	Relay (1.0) Calculated Property
Tc	847.72	K	Relay (1.0) Calculated Property
Tfus	294.33	K	Relay (1.0) Calculated Property
Vc	1.709	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1604.99; 1716.62]	J/mol×K	[1034.71; 1288.59]
Cp,gas	1604.99	J/mol×K	1034.71	Joback Calculated Property
Cp,gas	1628.42	J/mol×K	1077.02	Joback Calculated Property
Cp,gas	1649.75	J/mol×K	1119.34	Joback Calculated Property
Cp,gas	1669.10	J/mol×K	1161.65	Joback Calculated Property
Cp,gas	1686.61	J/mol×K	1203.97	Joback Calculated Property
Cp,gas	1702.40	J/mol×K	1246.28	Joback Calculated Property
Cp,gas	1716.62	J/mol×K	1288.59	Joback Calculated Property
η	[0.0000078; 0.0002345]	Pa×s	[559.60; 1034.71]
η	0.0002345	Pa×s	559.60	Joback Calculated Property
η	0.0000935	Pa×s	638.78	Joback Calculated Property
η	0.0000457	Pa×s	717.97	Joback Calculated Property
η	0.0000257	Pa×s	797.15	Joback Calculated Property
η	0.0000161	Pa×s	876.34	Joback Calculated Property
η	0.0000109	Pa×s	955.52	Joback Calculated Property
η	0.0000078	Pa×s	1034.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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