Chemical Properties of Citronellyl benzoate (CAS 10482-77-6)

InChI

InChI=1S/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3

InChI Key

UDPCCAUIDDVTEL-UHFFFAOYSA-N

Formula

C17H24O2

SMILES

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

Molecular Weight¹

260.37

CAS

10482-77-6

Other Names

• 3,7-Dimethyloct-6-en-1-yl benzoate

• 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_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°	39.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.33	kJ/mol	Joback Calculated Property
ΔfusH°	31.98	kJ/mol	Joback Calculated Property
ΔvapH°	64.52	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.616		Crippen Calculated Property
McVol	229.770	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[1929.70; 1929.70]
Inp	1929.70		NIST
Inp	1929.70		NIST
I	[2512.00; 2512.00]
I	2512.00		NIST
I	2512.00		NIST
Tboil	694.93	K	Joback Calculated Property
Tc	901.07	K	Joback Calculated Property
Tfus	345.89	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.49; 722.83]	J/mol×K	[694.93; 901.07]
Cp,gas	632.49	J/mol×K	694.93	Joback Calculated Property
Cp,gas	650.04	J/mol×K	729.29	Joback Calculated Property
Cp,gas	666.53	J/mol×K	763.64	Joback Calculated Property
Cp,gas	682.01	J/mol×K	798.00	Joback Calculated Property
Cp,gas	696.52	J/mol×K	832.36	Joback Calculated Property
Cp,gas	710.11	J/mol×K	866.72	Joback Calculated Property
Cp,gas	722.83	J/mol×K	901.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citronellyl benzoate.

Sources

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

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