Chemical Properties of Phthalic acid, 2-(4-bromophenoxy)ethyl nonyl ester

InChI

InChI=1S/C25H31BrO5/c1-2-3-4-5-6-7-10-17-30-24(27)22-11-8-9-12-23(22)25(28)31-19-18-29-21-15-13-20(26)14-16-21/h8-9,11-16H,2-7,10,17-19H2,1H3

InChI Key

MZHFXCRPIWGTMO-UHFFFAOYSA-N

Formula

C25H31BrO5

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCOc1ccc(Br)cc1

Molecular Weight¹

491.42

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1792		Relay (1.0) Calculated Property
ΔfH°gas	-810.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.02	kJ/mol	Joback Calculated Property
ΔvapH°	131.29	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.68		Relay (1.0) Calculated Property
logPoct/wat	6.592		Crippen Calculated Property
McVol	353.840	ml/mol	McGowan Calculated Property
Pc	1169.62	kPa	Joback Calculated Property
Inp	[3335.00; 3335.00]
Inp	3335.00		NIST
Inp	3335.00		NIST
Tboil	738.53	K	Relay (1.0) Calculated Property
Tc	963.30	K	Relay (1.0) Calculated Property
Tfus	303.85	K	Relay (1.0) Calculated Property
Vc	1.293	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[1122.98; 1166.49]	J/mol×K	[1039.94; 1274.61]
Cp,gas	1122.98	J/mol×K	1039.94	Joback Calculated Property
Cp,gas	1134.19	J/mol×K	1079.05	Joback Calculated Property
Cp,gas	1143.75	J/mol×K	1118.16	Joback Calculated Property
Cp,gas	1151.70	J/mol×K	1157.28	Joback Calculated Property
Cp,gas	1158.10	J/mol×K	1196.39	Joback Calculated Property
Cp,gas	1163.02	J/mol×K	1235.50	Joback Calculated Property
Cp,gas	1166.49	J/mol×K	1274.61	Joback Calculated Property
η	[0.0000115; 0.0001441]	Pa×s	[616.08; 1039.94]
η	0.0001441	Pa×s	616.08	Joback Calculated Property
η	0.0000762	Pa×s	686.72	Joback Calculated Property
η	0.0000454	Pa×s	757.37	Joback Calculated Property
η	0.0000295	Pa×s	828.01	Joback Calculated Property
η	0.0000206	Pa×s	898.65	Joback Calculated Property
η	0.0000151	Pa×s	969.30	Joback Calculated Property
η	0.0000115	Pa×s	1039.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl nonyl 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.
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