Chemical Properties of Sebacic acid, 2-methoxy-4-chlorobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C25H39ClO5/c1-5-12-22(19(2)3)31-25(28)14-11-9-7-6-8-10-13-24(27)30-18-20-15-16-21(26)17-23(20)29-4/h15-17,19,22H,5-14,18H2,1-4H3

InChI Key

CLKSXZLKXSKQEF-UHFFFAOYSA-N

Formula

C25H39ClO5

SMILES

CCCC(OC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)cc1OC)C(C)C

Molecular Weight¹

455.03

• 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°	-336.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-993.86	kJ/mol	Joback Calculated Property
ΔfusH°	57.68	kJ/mol	Joback Calculated Property
ΔvapH°	99.17	kJ/mol	Joback Calculated Property
log10WS	-7.87		Crippen Calculated Property
logPoct/wat	6.881		Crippen Calculated Property
McVol	372.340	ml/mol	McGowan Calculated Property
Pc	939.22	kPa	Joback Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	1019.59	K	Joback Calculated Property
Tc	1248.82	K	Joback Calculated Property
Tfus	589.44	K	Joback Calculated Property
Vc	1.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1235.70; 1298.66]	J/mol×K	[1019.59; 1248.82]
Cp,gas	1235.70	J/mol×K	1019.59	Joback Calculated Property
Cp,gas	1250.56	J/mol×K	1057.79	Joback Calculated Property
Cp,gas	1263.64	J/mol×K	1096.00	Joback Calculated Property
Cp,gas	1274.96	J/mol×K	1134.20	Joback Calculated Property
Cp,gas	1284.55	J/mol×K	1172.41	Joback Calculated Property
Cp,gas	1292.44	J/mol×K	1210.61	Joback Calculated Property
Cp,gas	1298.66	J/mol×K	1248.82	Joback Calculated Property
η	[0.0000139; 0.0001963]	Pa×s	[589.44; 1019.59]
η	0.0001963	Pa×s	589.44	Joback Calculated Property
η	0.0000994	Pa×s	661.13	Joback Calculated Property
η	0.0000575	Pa×s	732.82	Joback Calculated Property
η	0.0000366	Pa×s	804.51	Joback Calculated Property
η	0.0000251	Pa×s	876.21	Joback Calculated Property
η	0.0000183	Pa×s	947.90	Joback Calculated Property
η	0.0000139	Pa×s	1019.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-methoxy-4-chlorobenzyl 2-methylhex-3-yl ester.

Sources

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

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