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

InChI

InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32-28(30)22-19-18-20-23-29(31)33-27(4)25-26(2)3/h26-27H,5-25H2,1-4H3

InChI Key

VESDKMGHXBYTEX-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

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

Molecular Weight¹

468.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1275.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.39	kJ/mol	Joback Calculated Property
ΔvapH°	126.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.82		Relay (1.0) Calculated Property
logPoct/wat	8.939		Crippen Calculated Property
McVol	434.350	ml/mol	McGowan Calculated Property
Pc	659.49	kPa	Joback Calculated Property
Inp	[3113.00; 3113.00]
Inp	3113.00		NIST
Inp	3113.00		NIST
Tboil	660.68	K	Relay (1.0) Calculated Property
Tc	837.98	K	Relay (1.0) Calculated Property
Tfus	294.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1540.24; 1646.05]	J/mol×K	[1014.62; 1261.98]
Cp,gas	1540.24	J/mol×K	1014.62	Joback Calculated Property
Cp,gas	1563.12	J/mol×K	1055.85	Joback Calculated Property
Cp,gas	1583.78	J/mol×K	1097.07	Joback Calculated Property
Cp,gas	1602.32	J/mol×K	1138.30	Joback Calculated Property
Cp,gas	1618.82	J/mol×K	1179.53	Joback Calculated Property
Cp,gas	1633.37	J/mol×K	1220.75	Joback Calculated Property
Cp,gas	1646.05	J/mol×K	1261.98	Joback Calculated Property
η	[0.0000111; 0.0003537]	Pa×s	[530.91; 1014.62]
η	0.0003537	Pa×s	530.91	Joback Calculated Property
η	0.0001359	Pa×s	611.53	Joback Calculated Property
η	0.0000652	Pa×s	692.15	Joback Calculated Property
η	0.0000365	Pa×s	772.76	Joback Calculated Property
η	0.0000228	Pa×s	853.38	Joback Calculated Property
η	0.0000154	Pa×s	934.00	Joback Calculated Property
η	0.0000111	Pa×s	1014.62	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.