Chemical Properties of Sebacic acid, hexyl 4-isopropylphenyl ester

InChI

InChI=1S/C25H40O4/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)29-23-18-16-22(17-19-23)21(2)3/h16-19,21H,4-15,20H2,1-3H3

InChI Key

SRFKXEBJDIWMKW-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

404.58

• 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	1.1321		Relay (... Calculated Property
ΔfG°	-207.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.44	kJ/mol	Relay (... Calculated Property
ΔfusH°	56.21	kJ/mol	Joback Calculated Property
ΔvapH°	114.57	kJ/mol	Relay (... Calculated Property
IE	8.33	eV	Relay (... Calculated Property
log10WS	-6.70		Relay (... Calculated Property
logPoct/wat	6.960		Crippen Calculated Property
McVol	354.230	ml/mol	McGowan Calculated Property
Pc	975.34	kPa	Joback Calculated Property
Inp	[3042.00; 3042.00]
Inp	3042.00		NIST
Inp	3042.00		NIST
Tboil	659.77	K	Relay (... Calculated Property
Tc	870.08	K	Relay (... Calculated Property
Tfus	298.95	K	Relay (... Calculated Property
Vc	1.331	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1181.72; 1264.15]	J/mol×K	[955.20; 1169.50]
Cp,gas	1181.72	J/mol×K	955.20	Joback Calculated Property
Cp,gas	1198.96	J/mol×K	990.92	Joback Calculated Property
Cp,gas	1214.75	J/mol×K	1026.63	Joback Calculated Property
Cp,gas	1229.11	J/mol×K	1062.35	Joback Calculated Property
Cp,gas	1242.11	J/mol×K	1098.07	Joback Calculated Property
Cp,gas	1253.77	J/mol×K	1133.79	Joback Calculated Property
Cp,gas	1264.15	J/mol×K	1169.50	Joback Calculated Property
η	[0.0000242; 0.0003804]	Pa×s	[539.77; 955.20]
η	0.0003804	Pa×s	539.77	Joback Calculated Property
η	0.0001851	Pa×s	609.01	Joback Calculated Property
η	0.0001043	Pa×s	678.25	Joback Calculated Property
η	0.0000654	Pa×s	747.48	Joback Calculated Property
η	0.0000443	Pa×s	816.72	Joback Calculated Property
η	0.0000320	Pa×s	885.96	Joback Calculated Property
η	0.0000242	Pa×s	955.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 4-isopropylphenyl ester.

Sources

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

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