Chemical Properties of Benzoic acid, undecyl ester (CAS 6316-30-9)

InChI

InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3

InChI Key

YEHGKFOTJWYCBN-UHFFFAOYSA-N

Formula

C18H28O2

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1

Molecular Weight¹

276.41

CAS

6316-30-9

Other Names

• undecyl benzoate

• 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).
• 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
ΔfG°	-20.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.12	kJ/mol	Joback Calculated Property
ΔfusH°	39.20	kJ/mol	Joback Calculated Property
ΔvapH°	67.09	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	5.374		Crippen Calculated Property
McVol	248.160	ml/mol	McGowan Calculated Property
Pc	1515.21	kPa	Joback Calculated Property
Inp	[2055.00; 2085.00]
Inp	2058.00		NIST
Inp	2059.00		NIST
Inp	2065.00		NIST
Inp	2076.00		NIST
Inp	2080.00		NIST
Inp	2055.00		NIST
Inp	2063.00		NIST
Inp	2071.00		NIST
Inp	2068.00		NIST
Inp	Outlier 2085.00		NIST
Inp	2064.00		NIST
Inp	2075.00		NIST
Inp	2058.00		NIST
Inp	2055.00		NIST
Inp	2068.00		NIST
I	[2574.00; 2607.00]
I	2578.00		NIST
I	2601.00		NIST
I	2606.00		NIST
I	2576.00		NIST
I	2590.00		NIST
I	2607.00		NIST
I	2583.00		NIST
I	2601.00		NIST
I	2574.00		NIST
I	2594.00		NIST
I	2578.00		NIST
I	2607.00		NIST
Tboil	714.21	K	Joback Calculated Property
Tc	906.19	K	Joback Calculated Property
Tfus	391.20	K	Joback Calculated Property
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.91; 803.25]	J/mol×K	[714.21; 906.19]
Cp,gas	710.91	J/mol×K	714.21	Joback Calculated Property
Cp,gas	728.69	J/mol×K	746.21	Joback Calculated Property
Cp,gas	745.47	J/mol×K	778.20	Joback Calculated Property
Cp,gas	761.28	J/mol×K	810.20	Joback Calculated Property
Cp,gas	776.16	J/mol×K	842.20	Joback Calculated Property
Cp,gas	790.14	J/mol×K	874.20	Joback Calculated Property
Cp,gas	803.25	J/mol×K	906.19	Joback Calculated Property
η	[0.0000958; 0.0015490]	Pa×s	[391.20; 714.21]
η	0.0015490	Pa×s	391.20	Joback Calculated Property
η	0.0007359	Pa×s	445.03	Joback Calculated Property
η	0.0004105	Pa×s	498.87	Joback Calculated Property
η	0.0002566	Pa×s	552.70	Joback Calculated Property
η	0.0001743	Pa×s	606.54	Joback Calculated Property
η	0.0001261	Pa×s	660.38	Joback Calculated Property
η	0.0000958	Pa×s	714.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, undecyl ester.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.