Chemical Properties of Neryl benzoate

InChI

InChI=1S/C18H24O2/c1-15(2)9-7-10-16(3)11-8-14-20-18(19)17-12-5-4-6-13-17/h4-6,9,11-13H,7-8,10,14H2,1-3H3/b16-11-

InChI Key

LWTRZPZIWZJTIG-WJDWOHSUSA-N

Formula

C18H24O2

SMILES

CC(C)=CCCC(C)=CCCOC(=O)c1ccccc1

Molecular Weight¹

272.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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°	122.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-208.26	kJ/mol	Joback Calculated Property
ΔfusH°	36.99	kJ/mol	Joback Calculated Property
ΔvapH°	67.17	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	4.926		Crippen Calculated Property
McVol	239.560	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
I	[2586.00; 2586.00]
I	2586.00		NIST
I	2586.00		NIST
Tboil	722.29	K	Joback Calculated Property
Tc	932.40	K	Joback Calculated Property
Tfus	353.12	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.77; 752.81]	J/mol×K	[722.29; 932.40]
Cp,gas	663.77	J/mol×K	722.29	Joback Calculated Property
Cp,gas	681.03	J/mol×K	757.31	Joback Calculated Property
Cp,gas	697.23	J/mol×K	792.33	Joback Calculated Property
Cp,gas	712.44	J/mol×K	827.34	Joback Calculated Property
Cp,gas	726.73	J/mol×K	862.36	Joback Calculated Property
Cp,gas	740.17	J/mol×K	897.38	Joback Calculated Property
Cp,gas	752.81	J/mol×K	932.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neryl benzoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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