Chemical Properties of Farnesol formate (CAS 917105-98-7)

InChI

InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,13H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+

InChI Key

KSBAOYWMHJTPQU-XGGJEREUSA-N

Formula

C16H26O2

SMILES

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

Molecular Weight¹

250.38

CAS

917105-98-7

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-435.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.92	kJ/mol	Joback Calculated Property
ΔvapH°	87.03	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.579		Crippen Calculated Property
McVol	230.840	ml/mol	McGowan Calculated Property
Inp	[1736.50; 1736.50]
Inp	1736.50		NIST
Inp	1736.50		NIST
Tboil	565.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.17; 744.21]	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			-4.82750e+01
Coefficient B			1.63188e+00
Coefficient C			-1.21770e-03
Coefficient D			3.78300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.17	J/mol×K	273.00	Calculated Property
Cp,gas	393.39	J/mol×K	353.78	Calculated Property
Cp,gas	461.96	J/mol×K	434.56	Calculated Property
Cp,gas	521.08	J/mol×K	515.33	Calculated Property
Cp,gas	571.93	J/mol×K	596.11	Calculated Property
Cp,gas	615.73	J/mol×K	676.89	Calculated Property
Cp,gas	653.65	J/mol×K	757.67	Calculated Property
Cp,gas	686.91	J/mol×K	838.44	Calculated Property
Cp,gas	716.70	J/mol×K	919.22	Calculated Property
Cp,gas	744.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Farnesol formate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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