Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl dodec-2-en-1-yl ester

InChI

InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)18-15-19-25(27)29-22-20-23-16-12-11-13-17-23/h10,14,23H,2-9,11-13,15-22H2,1H3/b14-10+

InChI Key

LTVCRDZRNMXXPX-GXDHUFHOSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)OCCC1CCCCC1

Molecular Weight¹

408.61

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0184		Relay (1.0) Calculated Property
ΔfH°gas	-1064.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.12	kJ/mol	Joback Calculated Property
ΔvapH°	116.80	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	6.910		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Pc	935.77	kPa	Joback Calculated Property
Inp	[2909.00; 2909.00]
Inp	2909.00		NIST
Inp	2909.00		NIST
Tboil	683.03	K	Relay (1.0) Calculated Property
Tc	866.20	K	Relay (1.0) Calculated Property
Tfus	279.06	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[1250.71; 1344.74]	J/mol×K	[947.69; 1160.29]
Cp,gas	1250.71	J/mol×K	947.69	Joback Calculated Property
Cp,gas	1269.99	J/mol×K	983.12	Joback Calculated Property
Cp,gas	1287.75	J/mol×K	1018.56	Joback Calculated Property
Cp,gas	1304.05	J/mol×K	1053.99	Joback Calculated Property
Cp,gas	1318.94	J/mol×K	1089.43	Joback Calculated Property
Cp,gas	1332.48	J/mol×K	1124.86	Joback Calculated Property
Cp,gas	1344.74	J/mol×K	1160.29	Joback Calculated Property
η	[0.0000227; 0.0004851]	Pa×s	[518.13; 947.69]
η	0.0004851	Pa×s	518.13	Joback Calculated Property
η	0.0002135	Pa×s	589.72	Joback Calculated Property
η	0.0001123	Pa×s	661.32	Joback Calculated Property
η	0.0000669	Pa×s	732.91	Joback Calculated Property
η	0.0000438	Pa×s	804.50	Joback Calculated Property
η	0.0000307	Pa×s	876.10	Joback Calculated Property
η	0.0000227	Pa×s	947.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl dodec-2-en-1-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.