Chemical Properties of Benzoic acid, 4-(dodecyloxy)-

InChI

InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)

InChI Key

ALQLYJHDBAKLBB-UHFFFAOYSA-N

Formula

C19H30O3

SMILES

CCCCCCCCCCCCOc1ccc(C(=O)O)cc1

Molecular Weight¹

306.45

Other Names

• Benzoic acid, p-(dodecyloxy)-
• p-(Dodecyloxy)benzoic acid
• para-Dodecyloxybenzoic acid
• 4-n-Dodecyloxybenzoic acid
• 4-(dodecyloxy)benzoic acid

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.86; 907.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.88900e+00
Coefficient B			1.65802e+00
Coefficient C			-9.35560e-04
Coefficient D			1.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.86	J/mol×K	273.00	Calculated Property
Cp,gas	473.94	J/mol×K	353.78	Calculated Property
Cp,gas	555.43	J/mol×K	434.56	Calculated Property
Cp,gas	627.91	J/mol×K	515.33	Calculated Property
Cp,gas	692.00	J/mol×K	596.11	Calculated Property
Cp,gas	748.28	J/mol×K	676.89	Calculated Property
Cp,gas	797.35	J/mol×K	757.67	Calculated Property
Cp,gas	839.80	J/mol×K	838.44	Calculated Property
Cp,gas	876.25	J/mol×K	919.22	Calculated Property
Cp,gas	907.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004630; 0.0000983]	Pa×s	[525.66; 724.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33330e+01
Coefficient B			2.97267e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			525.66
Temperature range, max.			724.10
η	0.0004630	Pa×s	525.66	Calculated Property
η	0.0003687	Pa×s	547.71	Calculated Property
η	0.0002989	Pa×s	569.76	Calculated Property
η	0.0002461	Pa×s	591.81	Calculated Property
η	0.0002054	Pa×s	613.86	Calculated Property
η	0.0001737	Pa×s	635.90	Calculated Property
η	0.0001485	Pa×s	657.95	Calculated Property
η	0.0001283	Pa×s	680.00	Calculated Property
η	0.0001118	Pa×s	702.05	Calculated Property
η	0.0000983	Pa×s	724.10	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(dodecyloxy)-.

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.