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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.5296		Relay (1.0) Calculated Property
ΔfH°gas	-547.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.57	kJ/mol	Joback Calculated Property
ΔvapH°	68.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[1332.20; 1332.20]
Inp	1332.20		NIST
Inp	1332.20		NIST
Tboil	503.71	K	Relay (1.0) Calculated Property
Tc	677.66	K	Relay (1.0) Calculated Property
Tfus	214.29	K	Relay (1.0) Calculated Property
Vc	0.664	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.22; 616.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.83400e+00
Coefficient B			1.11488e+00
Coefficient C			-6.23700e-04
Coefficient D			1.23200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.22	J/mol×K	273.00	Calculated Property
Cp,gas	323.65	J/mol×K	353.78	Calculated Property
Cp,gas	378.64	J/mol×K	434.56	Calculated Property
Cp,gas	427.59	J/mol×K	515.33	Calculated Property
Cp,gas	470.89	J/mol×K	596.11	Calculated Property
Cp,gas	508.93	J/mol×K	676.89	Calculated Property
Cp,gas	542.09	J/mol×K	757.67	Calculated Property
Cp,gas	570.76	J/mol×K	838.44	Calculated Property
Cp,gas	595.34	J/mol×K	919.22	Calculated Property
Cp,gas	616.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to dihydrogeranyl acetate.

Sources

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

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