Chemical Properties of nerylacetol [6,10-dimethyl-(Z)-5,9-undecadien-2-ol]

InChI

InChI=1S/C14H26O/c1-11(2)7-6-8-12(3)13(4)9-10-14(5)15/h7,14-15H,6,8-10H2,1-5H3/b13-12-

InChI Key

JWAKIRUDIWHFGT-SEYXRHQNSA-N

Formula

C14H26O

SMILES

CC(C)=CCCC(C)=C(C)CCC(C)O

Molecular Weight¹

210.36

• 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 : 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°	62.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-284.73	kJ/mol	Joback Calculated Property
ΔfusH°	29.05	kJ/mol	Joback Calculated Property
ΔvapH°	63.20	kJ/mol	Joback Calculated Property
log10WS	-4.77		Crippen Calculated Property
logPoct/wat	4.230		Crippen Calculated Property
McVol	205.390	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
I	[1930.00; 1930.00]
I	1930.00		NIST
I	1930.00		NIST
Tboil	619.42	K	Joback Calculated Property
Tc	796.54	K	Joback Calculated Property
Tfus	241.32	K	Joback Calculated Property
Vc	0.795	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.92; 625.97]	J/mol×K	[619.42; 796.54]
Cp,gas	541.92	J/mol×K	619.42	Joback Calculated Property
Cp,gas	557.66	J/mol×K	648.94	Joback Calculated Property
Cp,gas	572.66	J/mol×K	678.46	Joback Calculated Property
Cp,gas	586.95	J/mol×K	707.98	Joback Calculated Property
Cp,gas	600.57	J/mol×K	737.50	Joback Calculated Property
Cp,gas	613.56	J/mol×K	767.02	Joback Calculated Property
Cp,gas	625.97	J/mol×K	796.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to nerylacetol [6,10-dimethyl-(Z)-5,9-undecadien-2-ol].

Sources

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

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