Chemical Properties of Behenyl benzoate (CAS 103403-38-9)

InChI

InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31-29(30)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3

InChI Key

IACXYDVFQDGXJF-UHFFFAOYSA-N

Formula

C29H50O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1

Molecular Weight¹

430.71

CAS

103403-38-9

• 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.
• 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	1.2557		Relay (1.0) Calculated Property
ΔfH°gas	-712.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.28	kJ/mol	Joback Calculated Property
ΔvapH°	141.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-9.31		Relay (1.0) Calculated Property
logPoct/wat	9.665		Crippen Calculated Property
McVol	403.150	ml/mol	McGowan Calculated Property
Pc	744.07	kPa	Joback Calculated Property
Inp	[3264.00; 3264.00]
Inp	3264.00		NIST
Inp	3264.00		NIST
Tboil	677.90	K	Relay (1.0) Calculated Property
Tc	882.18	K	Relay (1.0) Calculated Property
Tfus	311.10	K	Relay (1.0) Calculated Property
Vc	1.554	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	[1374.78; 1480.36]	J/mol×K	[948.02; 1162.09]
Cp,gas	1374.78	J/mol×K	948.02	Joback Calculated Property
Cp,gas	1395.91	J/mol×K	983.70	Joback Calculated Property
Cp,gas	1415.51	J/mol×K	1019.38	Joback Calculated Property
Cp,gas	1433.68	J/mol×K	1055.06	Joback Calculated Property
Cp,gas	1450.49	J/mol×K	1090.73	Joback Calculated Property
Cp,gas	1466.02	J/mol×K	1126.41	Joback Calculated Property
Cp,gas	1480.36	J/mol×K	1162.09	Joback Calculated Property
η	[0.0000177; 0.0005752]	Pa×s	[485.34; 948.02]
η	0.0005752	Pa×s	485.34	Joback Calculated Property
η	0.0002162	Pa×s	562.45	Joback Calculated Property
η	0.0001029	Pa×s	639.57	Joback Calculated Property
η	0.0000574	Pa×s	716.68	Joback Calculated Property
η	0.0000359	Pa×s	793.79	Joback Calculated Property
η	0.0000244	Pa×s	870.91	Joback Calculated Property
η	0.0000177	Pa×s	948.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Behenyl benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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