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

Farnesol formate

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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
Sources

Physical Properties

Property Value Unit Source
Δf 94.33 kJ/mol Joback Calculated Property
Δfgas -269.08 kJ/mol Joback Calculated Property
Δfus 37.35 kJ/mol Joback Calculated Property
Δvap 60.45 kJ/mol Joback Calculated Property
logPoct/wat 4.58 Crippen Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Tboil 648.68 K Joback Calculated Property
Tc 836.41 K Joback Calculated Property
Tfus 277.19 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 611.72 J/mol×K 648.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 3
-CH2- 5
=CH- 3
-CH3 4
O=CH- (aldehyde) 1

Similar Compounds

(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate. Geranyl formate. Neryl formate. Farnesol (e), methyl ether. (Z)-Farnesyl acetate. (Z,E)-Farnesyl acetate. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-. Farnesyl acetate. (E,Z)-farnesyl acetate. 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-. Nerol, methyl ether. (2E)-1-Methoxy-3,7-dimethylocta-2,6-diene. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-. Acetic acid, geranyl ester.

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