Chemical Properties of Pimelic acid, hexyl 5-methoxy-3-methylpent-2-yl ester

InChI

InChI=1S/C20H38O5/c1-5-6-7-11-15-24-19(21)12-9-8-10-13-20(22)25-18(3)17(2)14-16-23-4/h17-18H,5-16H2,1-4H3

InChI Key

IRQBZAAGFJFHRW-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

CCCCCCOC(=O)CCCCCC(=O)OC(C)C(C)CCOC

Molecular Weight¹

358.52

• 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	-1204.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.27	kJ/mol	Joback Calculated Property
ΔvapH°	94.46	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	4.665		Crippen Calculated Property
McVol	313.410	ml/mol	McGowan Calculated Property
Pc	1077.10	kPa	Joback Calculated Property
Inp	[2357.00; 2357.00]
Inp	2357.00		NIST
Inp	2357.00		NIST
Tboil	615.33	K	Relay (1.0) Calculated Property
Tc	785.11	K	Relay (1.0) Calculated Property
Tfus	244.58	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	[1001.80; 1093.35]	J/mol×K	[831.12; 1019.53]
Cp,gas	1001.80	J/mol×K	831.12	Joback Calculated Property
Cp,gas	1019.93	J/mol×K	862.52	Joback Calculated Property
Cp,gas	1036.90	J/mol×K	893.92	Joback Calculated Property
Cp,gas	1052.72	J/mol×K	925.33	Joback Calculated Property
Cp,gas	1067.40	J/mol×K	956.73	Joback Calculated Property
Cp,gas	1080.94	J/mol×K	988.13	Joback Calculated Property
Cp,gas	1093.35	J/mol×K	1019.53	Joback Calculated Property
η	[0.0000335; 0.0007901]	Pa×s	[451.71; 831.12]
η	0.0007901	Pa×s	451.71	Joback Calculated Property
η	0.0003376	Pa×s	514.95	Joback Calculated Property
η	0.0001737	Pa×s	578.18	Joback Calculated Property
η	0.0001019	Pa×s	641.41	Joback Calculated Property
η	0.0000658	Pa×s	704.65	Joback Calculated Property
η	0.0000456	Pa×s	767.88	Joback Calculated Property
η	0.0000335	Pa×s	831.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, hexyl 5-methoxy-3-methylpent-2-yl 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.