Chemical Properties of Glutaric acid, but-3-en-2-yl dodec-2-en-1-yl ester

InChI

InChI=1S/C21H36O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h5,13-14,19H,2,4,6-12,15-18H2,1,3H3/b14-13+

InChI Key

VWHMBRMQYHRSRX-BUHFOSPRSA-N

Formula

C21H36O4

SMILES

C=CC(C)OC(=O)CCCC(=O)OCC=CCCCCCCCCC

Molecular Weight¹

352.51

• 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).
• 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
ΔfG°	-176.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-729.00	kJ/mol	Joback Calculated Property
ΔfusH°	51.12	kJ/mol	Joback Calculated Property
ΔvapH°	79.55	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.514		Crippen Calculated Property
McVol	313.030	ml/mol	McGowan Calculated Property
Pc	1082.06	kPa	Joback Calculated Property
Inp	[2361.00; 2361.00]
Inp	2361.00		NIST
Inp	2361.00		NIST
Tboil	832.86	K	Joback Calculated Property
Tc	1022.98	K	Joback Calculated Property
Tfus	448.91	K	Joback Calculated Property
Vc	1.214	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.48; 1068.41]	J/mol×K	[832.86; 1022.98]
Cp,gas	977.48	J/mol×K	832.86	Joback Calculated Property
Cp,gas	995.11	J/mol×K	864.55	Joback Calculated Property
Cp,gas	1011.70	J/mol×K	896.23	Joback Calculated Property
Cp,gas	1027.29	J/mol×K	927.92	Joback Calculated Property
Cp,gas	1041.92	J/mol×K	959.60	Joback Calculated Property
Cp,gas	1055.62	J/mol×K	991.29	Joback Calculated Property
Cp,gas	1068.41	J/mol×K	1022.98	Joback Calculated Property
η	[0.0000394; 0.0008337]	Pa×s	[448.91; 832.86]
η	0.0008337	Pa×s	448.91	Joback Calculated Property
η	0.0003649	Pa×s	512.90	Joback Calculated Property
η	0.0001918	Pa×s	576.89	Joback Calculated Property
η	0.0001147	Pa×s	640.88	Joback Calculated Property
η	0.0000752	Pa×s	704.88	Joback Calculated Property
η	0.0000530	Pa×s	768.87	Joback Calculated Property
η	0.0000394	Pa×s	832.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl dodec-2-en-1-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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