Chemical Properties of 1-Dodecanol, 3,7,11-trimethyl- (CAS 6750-34-1)

InChI

InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3

InChI Key

HDPUXESLSOZSIB-UHFFFAOYSA-N

Formula

C15H32O

SMILES

CC(C)CCCC(C)CCCC(C)CCO

Molecular Weight¹

228.41

CAS

6750-34-1

Other Names

• Hexa-hydro-farnesol
• 3,7,11-Trimethyl-1-dodecanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	0.8168		Relay (1.0) Calculated Property
ΔfG°	-68.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.13	kJ/mol	Joback Calculated Property
ΔvapH°	96.47	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	4.638		Crippen Calculated Property
McVol	228.080	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Inp	[1563.00; 1576.00]
Inp	1576.00		NIST
Inp	1563.00		NIST
Inp	1571.00		NIST
Tboil	566.61	K	Relay (1.0) Calculated Property
Tc	740.50	K	Relay (1.0) Calculated Property
Tfus	242.15	K	Relay (1.0) Calculated Property
Vc	0.834	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy 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	[638.21; 730.40]	J/mol×K	[633.66; 798.24]
Cp,gas	638.21	J/mol×K	633.66	Joback Calculated Property
Cp,gas	655.32	J/mol×K	661.09	Joback Calculated Property
Cp,gas	671.71	J/mol×K	688.52	Joback Calculated Property
Cp,gas	687.39	J/mol×K	715.95	Joback Calculated Property
Cp,gas	702.38	J/mol×K	743.38	Joback Calculated Property
Cp,gas	716.71	J/mol×K	770.81	Joback Calculated Property
Cp,gas	730.40	J/mol×K	798.24	Joback Calculated Property
η	[0.0000401; 0.0616129]	Pa×s	[274.63; 633.66]
η	0.0616129	Pa×s	274.63	Joback Calculated Property
η	0.0060764	Pa×s	334.47	Joback Calculated Property
η	0.0012105	Pa×s	394.31	Joback Calculated Property
η	0.0003689	Pa×s	454.15	Joback Calculated Property
η	0.0001483	Pa×s	513.98	Joback Calculated Property
η	0.0000721	Pa×s	573.82	Joback Calculated Property
η	0.0000401	Pa×s	633.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Dodecanol, 3,7,11-trimethyl-.

Sources

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

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