Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl dodec-2-en-1-yl ester

InChI

InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)29-21-23-17-13-12-16-22(23)2/h11,14H,3-10,12-13,15-21H2,1-2H3/b14-11+

InChI Key

XUOQHJVBXBTUJI-SDNWHVSQSA-N

Formula

C25H42O4

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)OCC1=C(C)CCCC1

Molecular Weight¹

406.60

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

Physical Properties

Property	Value	Unit	Source
ω	0.9775		Relay (1.0) Calculated Property
ΔfG°	-185.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.49	kJ/mol	Joback Calculated Property
ΔvapH°	116.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	6.831		Crippen Calculated Property
McVol	358.530	ml/mol	McGowan Calculated Property
Pc	958.51	kPa	Joback Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	670.28	K	Relay (1.0) Calculated Property
Tc	858.08	K	Relay (1.0) Calculated Property
Tfus	291.22	K	Relay (1.0) Calculated Property
Vc	1.298	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1215.10; 1304.06]	J/mol×K	[961.48; 1177.15]
Cp,gas	1215.10	J/mol×K	961.48	Joback Calculated Property
Cp,gas	1233.34	J/mol×K	997.43	Joback Calculated Property
Cp,gas	1250.14	J/mol×K	1033.37	Joback Calculated Property
Cp,gas	1265.56	J/mol×K	1069.32	Joback Calculated Property
Cp,gas	1279.65	J/mol×K	1105.26	Joback Calculated Property
Cp,gas	1292.46	J/mol×K	1141.21	Joback Calculated Property
Cp,gas	1304.06	J/mol×K	1177.15	Joback Calculated Property
η	[0.0000194; 0.0003142]	Pa×s	[548.17; 961.48]
η	0.0003142	Pa×s	548.17	Joback Calculated Property
η	0.0001525	Pa×s	617.05	Joback Calculated Property
η	0.0000855	Pa×s	685.94	Joback Calculated Property
η	0.0000533	Pa×s	754.83	Joback Calculated Property
η	0.0000360	Pa×s	823.71	Joback Calculated Property
η	0.0000258	Pa×s	892.60	Joback Calculated Property
η	0.0000194	Pa×s	961.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl dodec-2-en-1-yl ester.

Sources

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

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