Chemical Properties of dihydrogeranyl acetate

InChI

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h8,10H,5-7,9H2,1-4H3/b11-8+

InChI Key

LZLOAANJNAQPIH-DHZHZOJOSA-N

Formula

C12H22O2

SMILES

CC(=O)OCC=C(C)CCCC(C)C

Molecular Weight¹

198.30

• 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.
• 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°	-114.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.66	kJ/mol	Joback Calculated Property
ΔfusH°	24.99	kJ/mol	Joback Calculated Property
ΔvapH°	51.11	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	1959.60	kPa	Joback Calculated Property
Inp	[1332.20; 1332.20]
Inp	1332.20		NIST
Inp	1332.20		NIST
Tboil	553.85	K	Joback Calculated Property
Tc	736.57	K	Joback Calculated Property
Tfus	263.12	K	Joback Calculated Property
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.83; 530.86]	J/mol×K	[553.85; 736.57]
Cp,gas	445.83	J/mol×K	553.85	Joback Calculated Property
Cp,gas	461.72	J/mol×K	584.30	Joback Calculated Property
Cp,gas	476.90	J/mol×K	614.76	Joback Calculated Property
Cp,gas	491.38	J/mol×K	645.21	Joback Calculated Property
Cp,gas	505.19	J/mol×K	675.66	Joback Calculated Property
Cp,gas	518.34	J/mol×K	706.11	Joback Calculated Property
Cp,gas	530.86	J/mol×K	736.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to dihydrogeranyl acetate.

Sources

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

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