Chemical Properties of 3,7,11-Trimethyldodecylacetate

InChI

InChI=1S/C17H34O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h14-16H,6-13H2,1-5H3

InChI Key

FMIKGNLHOCVXJO-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CC(=O)OCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

270.46

Other Names

• Hexahydrofarnesyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ω	0.7355		Relay (1.0) Calculated Property
ΔfH°gas	-765.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.59	kJ/mol	Joback Calculated Property
ΔvapH°	86.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-5.74		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1256.59	kPa	Joback Calculated Property
Inp	[1850.00; 1850.00]
Inp	1850.00		NIST
Inp	1850.00		NIST
I	[2122.00; 2122.00]
I	2122.00		NIST
I	2122.00		NIST
Tboil	564.51	K	Relay (1.0) Calculated Property
Tc	730.58	K	Relay (1.0) Calculated Property
Tfus	231.84	K	Relay (1.0) Calculated Property
Vc	0.955	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[724.46; 827.70]	J/mol×K	[645.46; 816.96]
Cp,gas	724.46	J/mol×K	645.46	Joback Calculated Property
Cp,gas	743.84	J/mol×K	674.04	Joback Calculated Property
Cp,gas	762.33	J/mol×K	702.63	Joback Calculated Property
Cp,gas	779.94	J/mol×K	731.21	Joback Calculated Property
Cp,gas	796.69	J/mol×K	759.79	Joback Calculated Property
Cp,gas	812.60	J/mol×K	788.38	Joback Calculated Property
Cp,gas	827.70	J/mol×K	816.96	Joback Calculated Property
η	[0.0000784; 0.0107763]	Pa×s	[278.68; 645.46]
η	0.0107763	Pa×s	278.68	Joback Calculated Property
η	0.0022679	Pa×s	339.81	Joback Calculated Property
η	0.0007676	Pa×s	400.94	Joback Calculated Property
η	0.0003461	Pa×s	462.07	Joback Calculated Property
η	0.0001880	Pa×s	523.20	Joback Calculated Property
η	0.0001160	Pa×s	584.33	Joback Calculated Property
η	0.0000784	Pa×s	645.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7,11-Trimethyldodecylacetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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