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

• 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	1.1256		Relay (1.0) Calculated Property
ΔfG°	-336.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1103.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.68	kJ/mol	Joback Calculated Property
ΔvapH°	121.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	6.880		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	684.90	K	Relay (1.0) Calculated Property
Tc	885.72	K	Relay (1.0) Calculated Property
Tfus	312.31	K	Relay (1.0) Calculated Property
Vc	1.359	m3/kmol	Relay (1.0) 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

• 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.