Chemical Properties of Pimelic acid, di(2,4,4-trimethylpentyl) ester

InChI

InChI=1S/C23H44O4/c1-18(14-22(3,4)5)16-26-20(24)12-10-9-11-13-21(25)27-17-19(2)15-23(6,7)8/h18-19H,9-17H2,1-8H3

InChI Key

ZPRXJYHZQIEPII-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

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

Molecular Weight¹

384.59

• 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	0.9535		Relay (... Calculated Property
ΔfG°	-324.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1211.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.03	kJ/mol	Joback Calculated Property
ΔvapH°	92.16	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-6.08		Relay (... Calculated Property
logPoct/wat	6.168		Crippen Calculated Property
McVol	349.810	ml/mol	McGowan Calculated Property
Pc	929.51	kPa	Joback Calculated Property
Inp	[1770.00; 1770.00]
Inp	1770.00		NIST
Inp	1770.00		NIST
Tboil	626.31	K	Relay (... Calculated Property
Tc	788.23	K	Relay (... Calculated Property
Tfus	301.34	K	Relay (... Calculated Property
Vc	1.323	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.01; 1254.84]	J/mol×K	[870.88; 1068.71]
Cp,gas	1156.01	J/mol×K	870.88	Joback Calculated Property
Cp,gas	1175.35	J/mol×K	903.85	Joback Calculated Property
Cp,gas	1193.47	J/mol×K	936.82	Joback Calculated Property
Cp,gas	1210.42	J/mol×K	969.80	Joback Calculated Property
Cp,gas	1226.26	J/mol×K	1002.77	Joback Calculated Property
Cp,gas	1241.05	J/mol×K	1035.74	Joback Calculated Property
Cp,gas	1254.84	J/mol×K	1068.71	Joback Calculated Property
η	[0.0000176; 0.0007283]	Pa×s	[468.13; 870.88]
η	0.0007283	Pa×s	468.13	Joback Calculated Property
η	0.0002653	Pa×s	535.25	Joback Calculated Property
η	0.0001211	Pa×s	602.38	Joback Calculated Property
η	0.0000646	Pa×s	669.50	Joback Calculated Property
η	0.0000387	Pa×s	736.63	Joback Calculated Property
η	0.0000252	Pa×s	803.75	Joback Calculated Property
η	0.0000176	Pa×s	870.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, di(2,4,4-trimethylpentyl) ester.

Sources

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

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