Chemical Properties of dodecyl benzoate

InChI

InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3

InChI Key

DLAHAXOYRFRPFQ-UHFFFAOYSA-N

Formula

C19H30O2

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1

Molecular Weight¹

290.45

Other Names

• Benzoic acid, dodecyl ester

• 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).
• 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.
• I : 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	0.9025		Relay (1.0) Calculated Property
ΔfH°gas	-499.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.38	kJ/mol	Joback Calculated Property
ΔvapH°	98.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	5.764		Crippen Calculated Property
McVol	262.250	ml/mol	McGowan Calculated Property
Pc	1365.67	kPa	Joback Calculated Property
Inp	[2155.00; 2189.00]
Inp	2157.00		NIST
Inp	2159.00		NIST
Inp	2166.00		NIST
Inp	2180.00		NIST
Inp	2184.00		NIST
Inp	2155.00		NIST
Inp	2163.00		NIST
Inp	2172.00		NIST
Inp	2173.00		NIST
Inp	2189.00		NIST
Inp	2168.00		NIST
Inp	2181.00		NIST
Inp	2157.00		NIST
Inp	2155.00		NIST
Inp	2173.00		NIST
I	[2677.00; 2710.00]
I	2681.00		NIST
I	2709.00		NIST
I	2681.00		NIST
I	2701.00		NIST
I	2708.00		NIST
I	2677.00		NIST
I	2691.00		NIST
I	2709.00		NIST
I	2694.00		NIST
I	2710.00		NIST
I	2683.00		NIST
I	2701.00		NIST
I	2694.00		NIST
Tboil	611.74	K	Relay (1.0) Calculated Property
Tc	812.98	K	Relay (1.0) Calculated Property
Tfus	280.84	K	Relay (1.0) Calculated Property
Vc	1.002	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.54; 855.06]	J/mol×K	[719.22; 907.96]
Cp,gas	760.54	J/mol×K	719.22	Joback Calculated Property
Cp,gas	778.82	J/mol×K	750.68	Joback Calculated Property
Cp,gas	796.05	J/mol×K	782.13	Joback Calculated Property
Cp,gas	812.25	J/mol×K	813.59	Joback Calculated Property
Cp,gas	827.46	J/mol×K	845.05	Joback Calculated Property
Cp,gas	841.72	J/mol×K	876.50	Joback Calculated Property
Cp,gas	855.06	J/mol×K	907.96	Joback Calculated Property
η	[0.0000752; 0.0019636]	Pa×s	[372.64; 719.22]
η	0.0019636	Pa×s	372.64	Joback Calculated Property
η	0.0007915	Pa×s	430.40	Joback Calculated Property
η	0.0003956	Pa×s	488.17	Joback Calculated Property
η	0.0002290	Pa×s	545.93	Joback Calculated Property
η	0.0001472	Pa×s	603.69	Joback Calculated Property
η	0.0001022	Pa×s	661.46	Joback Calculated Property
η	0.0000752	Pa×s	719.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to dodecyl benzoate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.