Chemical Properties of Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester

InChI

InChI=1S/C23H30O4/c1-17(2)16-18(3)26-22(24)14-5-4-6-15-23(25)27-21-13-9-11-19-10-7-8-12-20(19)21/h7-13,17-18H,4-6,14-16H2,1-3H3

InChI Key

SFRGCKFHPPIRLZ-UHFFFAOYSA-N

Formula

C23H30O4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1cccc2ccccc12

Molecular Weight¹

370.48

• 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	0.9609		Relay (1.0) Calculated Property
ΔfG°	-120.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-769.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.52	kJ/mol	Joback Calculated Property
ΔvapH°	113.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.673		Crippen Calculated Property
McVol	306.590	ml/mol	McGowan Calculated Property
Pc	1315.61	kPa	Joback Calculated Property
Inp	[2801.00; 2801.00]
Inp	2801.00		NIST
Inp	2801.00		NIST
Tboil	678.55	K	Relay (1.0) Calculated Property
Tc	919.57	K	Relay (1.0) Calculated Property
Tfus	325.17	K	Relay (1.0) Calculated Property
Vc	1.122	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[980.58; 1055.56]	J/mol×K	[927.98; 1146.03]
Cp,gas	980.58	J/mol×K	927.98	Joback Calculated Property
Cp,gas	995.85	J/mol×K	964.32	Joback Calculated Property
Cp,gas	1009.93	J/mol×K	1000.66	Joback Calculated Property
Cp,gas	1022.88	J/mol×K	1037.01	Joback Calculated Property
Cp,gas	1034.76	J/mol×K	1073.35	Joback Calculated Property
Cp,gas	1045.63	J/mol×K	1109.69	Joback Calculated Property
Cp,gas	1055.56	J/mol×K	1146.03	Joback Calculated Property
η	[0.0000606; 0.0006384]	Pa×s	[534.93; 927.98]
η	0.0006384	Pa×s	534.93	Joback Calculated Property
η	0.0003481	Pa×s	600.44	Joback Calculated Property
η	0.0002139	Pa×s	665.95	Joback Calculated Property
η	0.0001434	Pa×s	731.46	Joback Calculated Property
η	0.0001027	Pa×s	796.96	Joback Calculated Property
η	0.0000773	Pa×s	862.47	Joback Calculated Property
η	0.0000606	Pa×s	927.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester.

Sources

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

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