Chemical Properties of «alpha»-Citronellyl acetate (CAS 141-11-7)

InChI

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3

InChI Key

WNXJCQNXNOOMDJ-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=C(C)CCCC(C)CCOC(C)=O

Molecular Weight¹

198.30

CAS

141-11-7

Other Names

• rhodinyl acetate

• 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°	-106.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.45	kJ/mol	Joback Calculated Property
ΔfusH°	23.51	kJ/mol	Joback Calculated Property
ΔvapH°	50.48	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1942.37	kPa	Joback Calculated Property
Inp	[1266.00; 1266.00]
Inp	1266.00		NIST
Inp	1266.00		NIST
I	[1660.00; 1660.00]
I	1660.00		NIST
I	1660.00		NIST
Tboil	546.37	K	Joback Calculated Property
Tc	725.06	K	Joback Calculated Property
Tfus	266.44	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.43; 528.96]	J/mol×K	[546.37; 725.06]
Cp,gas	444.43	J/mol×K	546.37	Joback Calculated Property
Cp,gas	460.15	J/mol×K	576.15	Joback Calculated Property
Cp,gas	475.20	J/mol×K	605.93	Joback Calculated Property
Cp,gas	489.59	J/mol×K	635.71	Joback Calculated Property
Cp,gas	503.34	J/mol×K	665.50	Joback Calculated Property
Cp,gas	516.46	J/mol×K	695.28	Joback Calculated Property
Cp,gas	528.96	J/mol×K	725.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Citronellyl acetate.

Sources

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

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