Chemical Properties of Sebacic acid, hexyl 4-isopropoxyphenyl ester

InChI

InChI=1S/C25H40O5/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)30-23-18-16-22(17-19-23)29-21(2)3/h16-19,21H,4-15,20H2,1-3H3

InChI Key

PVYAKQAULGFOSX-UHFFFAOYSA-N

Formula

C25H40O5

SMILES

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

Molecular Weight¹

420.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1085.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.40	kJ/mol	Joback Calculated Property
ΔvapH°	114.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	6.623		Crippen Calculated Property
McVol	360.100	ml/mol	McGowan Calculated Property
Pc	965.07	kPa	Joback Calculated Property
Inp	[3016.00; 3016.00]
Inp	3016.00		NIST
Inp	3016.00		NIST
Tboil	673.56	K	Relay (1.0) Calculated Property
Tc	864.77	K	Relay (1.0) Calculated Property
Tfus	328.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1211.31; 1286.20]	J/mol×K	[977.62; 1197.02]
Cp,gas	1211.31	J/mol×K	977.62	Joback Calculated Property
Cp,gas	1227.82	J/mol×K	1014.19	Joback Calculated Property
Cp,gas	1242.67	J/mol×K	1050.75	Joback Calculated Property
Cp,gas	1255.91	J/mol×K	1087.32	Joback Calculated Property
Cp,gas	1267.55	J/mol×K	1123.89	Joback Calculated Property
Cp,gas	1277.64	J/mol×K	1160.45	Joback Calculated Property
Cp,gas	1286.20	J/mol×K	1197.02	Joback Calculated Property
η	[0.0000178; 0.0002600]	Pa×s	[562.00; 977.62]
η	0.0002600	Pa×s	562.00	Joback Calculated Property
η	0.0001302	Pa×s	631.27	Joback Calculated Property
η	0.0000747	Pa×s	700.54	Joback Calculated Property
η	0.0000474	Pa×s	769.81	Joback Calculated Property
η	0.0000324	Pa×s	839.08	Joback Calculated Property
η	0.0000235	Pa×s	908.35	Joback Calculated Property
η	0.0000178	Pa×s	977.62	Joback Calculated Property

Similar Compounds

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