Chemical Properties of Glutaric acid, dodec-2-en-1-yl tetradecyl ester

InChI

InChI=1S/C31H58O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-35-31(33)27-25-26-30(32)34-28-23-21-19-17-14-12-10-8-6-4-2/h21,23H,3-20,22,24-29H2,1-2H3/b23-21+

InChI Key

BKYYSGYUUSBOQA-XTQSDGFTSA-N

Formula

C31H58O4

SMILES

CCCCCCCCC/C=C/COC(=O)CCCC(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

494.80

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1183.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	84.99	kJ/mol	Joback Calculated Property
ΔvapH°	142.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-8.79		Relay (1.0) Calculated Property
logPoct/wat	9.641		Crippen Calculated Property
McVol	458.230	ml/mol	McGowan Calculated Property
Pc	585.71	kPa	Joback Calculated Property
Inp	[3457.00; 3457.00]
Inp	3457.00		NIST
Inp	3457.00		NIST
Tboil	686.45	K	Relay (1.0) Calculated Property
Tc	866.07	K	Relay (1.0) Calculated Property
Tfus	289.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1621.90; 1733.33]	J/mol×K	[1029.48; 1291.45]
Cp,gas	1621.90	J/mol×K	1029.48	Joback Calculated Property
Cp,gas	1645.90	J/mol×K	1073.14	Joback Calculated Property
Cp,gas	1667.54	J/mol×K	1116.80	Joback Calculated Property
Cp,gas	1686.96	J/mol×K	1160.47	Joback Calculated Property
Cp,gas	1704.29	J/mol×K	1204.13	Joback Calculated Property
Cp,gas	1719.70	J/mol×K	1247.79	Joback Calculated Property
Cp,gas	1733.33	J/mol×K	1291.45	Joback Calculated Property
η	[0.0000064; 0.0002904]	Pa×s	[518.71; 1029.48]
η	0.0002904	Pa×s	518.71	Joback Calculated Property
η	0.0000983	Pa×s	603.84	Joback Calculated Property
η	0.0000435	Pa×s	688.97	Joback Calculated Property
η	0.0000230	Pa×s	774.10	Joback Calculated Property
η	0.0000138	Pa×s	859.22	Joback Calculated Property
η	0.0000091	Pa×s	944.35	Joback Calculated Property
η	0.0000064	Pa×s	1029.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl tetradecyl ester.

Sources

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

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