Chemical Properties of Hexahydrofarnesyl acetone (CAS 68607-88-5)

InChI

InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3

InChI Key

WHWDWIHXSPCOKZ-UHFFFAOYSA-N

Formula

C18H36O

SMILES

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

Molecular Weight¹

268.48

CAS

68607-88-5

Other Names

• 6,10,14-Trimethyl-2-pentadecanone
• 2-Pentadecanone, 6,10,14-trimethyl-
• 6,10,14-Trimethylpentadecan-2-one
• 6,10,14-trimethylpentadecanone
• phytone
• Perhydrofarnesyl acetone
• 6,10,14-Trimethylpentadecan-2-one (hexahydrofarnesylacetone)
• (+/-)-Phytone
• Protein hydrolyzates, soya
• hydrolyzed soy protein

• 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.
• 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°	-35.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-543.27	kJ/mol	Joback Calculated Property
ΔfusH°	33.41	kJ/mol	Joback Calculated Property
ΔvapH°	61.24	kJ/mol	Joback Calculated Property
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	6.015		Crippen Calculated Property
McVol	266.050	ml/mol	McGowan Calculated Property
Pc	1223.41	kPa	Joback Calculated Property
Inp	[271.30; 1868.81]
Inp	1833.00		NIST
Inp	1845.00		NIST
Inp	1838.00		NIST
Inp	1827.00		NIST
Inp	1856.00		NIST
Inp	1846.00		NIST
Inp	1845.00		NIST
Inp	1847.00		NIST
Inp	1842.00		NIST
Inp	1838.00		NIST
Inp	1843.00		NIST
Inp	1843.00		NIST
Inp	1847.00		NIST
Inp	1845.00		NIST
Inp	1850.00		NIST
Inp	1842.00		NIST
Inp	1858.00		NIST
Inp	1849.00		NIST
Inp	1845.00		NIST
Inp	1843.00		NIST
Inp	1849.00		NIST
Inp	1842.00		NIST
Inp	1847.00		NIST
Inp	1845.60		NIST
Inp	1855.00		NIST
Inp	1846.00		NIST
Inp	1817.00		NIST
Inp	1843.00		NIST
Inp	1843.00		NIST
Inp	1845.00		NIST
Inp	1835.00		NIST
Inp	1846.00		NIST
Inp	1847.90		NIST
Inp	1848.90		NIST
Inp	1845.00		NIST
Inp	1843.00		NIST
Inp	1843.00		NIST
Inp	1843.00		NIST
Inp	1848.00		NIST
Inp	1845.00		NIST
Inp	1847.00		NIST
Inp	1845.00		NIST
Inp	1828.00		NIST
Inp	1850.00		NIST
Inp	1844.00		NIST
Inp	1845.00		NIST
Inp	1848.00		NIST
Inp	1855.00		NIST
Inp	1845.00		NIST
Inp	1848.00		NIST
Inp	1845.00		NIST
Inp	1868.81		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1835.00		NIST
Inp	1822.00		NIST
Inp	1851.00		NIST
Inp	1848.00		NIST
Inp	1846.00		NIST
Inp	1843.00		NIST
Inp	1848.00		NIST
Inp	1848.00		NIST
Inp	1847.00		NIST
Inp	1846.00		NIST
Inp	1841.00		NIST
Inp	1868.00		NIST
Inp	1845.00		NIST
Inp	1837.00		NIST
Inp	1836.00		NIST
Inp	1840.00		NIST
Inp	1842.00		NIST
Inp	1833.00		NIST
Inp	1833.00		NIST
Inp	1837.00		NIST
Inp	1847.00		NIST
Inp	1847.00		NIST
Inp	1853.00		NIST
Inp	1824.00		NIST
Inp	1846.00		NIST
Inp	1845.00		NIST
Inp	1824.00		NIST
Inp	1844.00		NIST
Inp	1854.00		NIST
Inp	1846.00		NIST
Inp	1847.00		NIST
Inp	1825.00		NIST
Inp	1830.00		NIST
Inp	1847.00		NIST
Inp	1848.50		NIST
Inp	1836.00		NIST
Inp	1838.00		NIST
Inp	1847.00		NIST
Inp	1823.00		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1823.00		NIST
Inp	1843.00		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1823.00		NIST
Inp	1845.00		NIST
Inp	1849.00		NIST
Inp	1843.00		NIST
Inp	1829.00		NIST
Inp	1845.00		NIST
Inp	1813.00		NIST
Inp	1815.00		NIST
Inp	1823.00		NIST
Inp	1836.00		NIST
Inp	1833.00		NIST
Inp	1824.00		NIST
Inp	1833.00		NIST
Inp	1836.00		NIST
Inp	1850.00		NIST
Inp	1833.00		NIST
Inp	1846.00		NIST
Inp	1828.00		NIST
Inp	1841.00		NIST
Inp	1847.00		NIST
Inp	1840.00		NIST
Inp	1843.00		NIST
Inp	1841.00		NIST
Inp	1835.00		NIST
Inp	1835.00		NIST
Inp	1851.00		NIST
Inp	1860.00		NIST
Inp	1860.00		NIST
Inp	1848.00		NIST
Inp	1835.00		NIST
Inp	1868.00		NIST
Inp	1835.00		NIST
Inp	1847.00		NIST
Inp	1850.00		NIST
Inp	1835.00		NIST
Inp	1845.00		NIST
Inp	1832.00		NIST
Inp	1846.00		NIST
Inp	Outlier 271.30		NIST
Inp	1845.00		NIST
Inp	1843.00		NIST
Inp	1858.00		NIST
Inp	1842.00		NIST
Inp	1817.00		NIST
Inp	1846.00		NIST
Inp	1848.00		NIST
Inp	1868.81		NIST
Inp	1822.00		NIST
Inp	Outlier 271.30		NIST
Inp	1833.00		NIST
Inp	1853.00		NIST
Inp	1844.00		NIST
Inp	1830.00		NIST
Inp	1847.00		NIST
Inp	1849.00		NIST
Inp	1815.00		NIST
Inp	1828.00		NIST
Inp	1827.00		NIST
Inp	1841.00		NIST
Inp	1835.00		NIST
Inp	1850.00		NIST
I	[2089.00; 2150.00]
I	Outlier 2096.00		NIST
I	Outlier 2096.00		NIST
I	2118.00		NIST
I	2118.00		NIST
I	2110.00		NIST
I	Outlier 2096.00		NIST
I	2129.00		NIST
I	2131.00		NIST
I	2118.00		NIST
I	2130.00		NIST
I	2106.00		NIST
I	2134.00		NIST
I	2131.00		NIST
I	Outlier 2150.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	Outlier 2089.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2118.00		NIST
I	2126.00		NIST
I	2128.00		NIST
I	Outlier 2096.00		NIST
I	2118.00		NIST
I	2131.00		NIST
I	2129.00		NIST
I	2134.00		NIST
I	2110.00		NIST
Tboil	663.79	K	Joback Calculated Property
Tc	837.19	K	Joback Calculated Property
Tfus	297.55	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.01; 864.76]	J/mol×K	[663.79; 837.19]
Cp,gas	759.01	J/mol×K	663.79	Joback Calculated Property
Cp,gas	778.82	J/mol×K	692.69	Joback Calculated Property
Cp,gas	797.72	J/mol×K	721.59	Joback Calculated Property
Cp,gas	815.74	J/mol×K	750.49	Joback Calculated Property
Cp,gas	832.90	J/mol×K	779.39	Joback Calculated Property
Cp,gas	849.23	J/mol×K	808.29	Joback Calculated Property
Cp,gas	864.76	J/mol×K	837.19	Joback Calculated Property
η	[0.0000989; 0.0079383]	Pa×s	[297.55; 663.79]
η	0.0079383	Pa×s	297.55	Joback Calculated Property
η	0.0020519	Pa×s	358.59	Joback Calculated Property
η	0.0007862	Pa×s	419.63	Joback Calculated Property
η	0.0003843	Pa×s	480.67	Joback Calculated Property
η	0.0002208	Pa×s	541.71	Joback Calculated Property
η	0.0001419	Pa×s	602.75	Joback Calculated Property
η	0.0000989	Pa×s	663.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexahydrofarnesyl acetone.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.