Chemical Properties of Sebacic acid, isohexyl 5-methoxy-3-phenylpentyl ester

InChI

InChI=1S/C28H46O5/c1-24(2)14-13-21-32-27(29)17-11-6-4-5-7-12-18-28(30)33-23-20-26(19-22-31-3)25-15-9-8-10-16-25/h8-10,15-16,24,26H,4-7,11-14,17-23H2,1-3H3

InChI Key

ITSAITLOKYTRLJ-UHFFFAOYSA-N

Formula

C28H46O5

SMILES

COCCC(CCOC(=O)CCCCCCCCC(=O)OCCCC(C)C)c1ccccc1

Molecular Weight¹

462.66

• 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	1.1835		Relay (1.0) Calculated Property
ΔfG°	-280.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1114.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.03	kJ/mol	Joback Calculated Property
ΔvapH°	127.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-5.90		Relay (1.0) Calculated Property
logPoct/wat	6.840		Crippen Calculated Property
McVol	402.370	ml/mol	McGowan Calculated Property
Pc	823.84	kPa	Joback Calculated Property
Inp	[3253.00; 3253.00]
Inp	3253.00		NIST
Inp	3253.00		NIST
Tboil	705.31	K	Relay (1.0) Calculated Property
Tc	895.76	K	Relay (1.0) Calculated Property
Tfus	308.38	K	Relay (1.0) Calculated Property
Vc	1.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.68; 1473.40]	J/mol×K	[1040.84; 1279.51]
Cp,gas	1399.68	J/mol×K	1040.84	Joback Calculated Property
Cp,gas	1416.78	J/mol×K	1080.62	Joback Calculated Property
Cp,gas	1431.88	J/mol×K	1120.40	Joback Calculated Property
Cp,gas	1445.03	J/mol×K	1160.18	Joback Calculated Property
Cp,gas	1456.29	J/mol×K	1199.96	Joback Calculated Property
Cp,gas	1465.73	J/mol×K	1239.73	Joback Calculated Property
Cp,gas	1473.40	J/mol×K	1279.51	Joback Calculated Property
η	[0.0000099; 0.0002247]	Pa×s	[568.29; 1040.84]
η	0.0002247	Pa×s	568.29	Joback Calculated Property
η	0.0000972	Pa×s	647.05	Joback Calculated Property
η	0.0000504	Pa×s	725.81	Joback Calculated Property
η	0.0000297	Pa×s	804.57	Joback Calculated Property
η	0.0000193	Pa×s	883.32	Joback Calculated Property
η	0.0000134	Pa×s	962.08	Joback Calculated Property
η	0.0000099	Pa×s	1040.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl 5-methoxy-3-phenylpentyl 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.