Chemical Properties of caryophyllene formate

caryophyllene formate

InChI
InChI=1S/C16H26O2/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)18-11-17/h11-13H,4-10H2,1-3H3
InChI Key
BGEIOYHSLPDHJC-UHFFFAOYSA-N
Formula
C16H26O2
SMILES
CC12CCCC(OC=O)(C1)C1CC(C)(C)C1CC2
Molecular Weight1
250.38
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Physical Properties

Property Value Unit Source
ω 0.4766 Relay (1.0) Calculated Property
ΔfG° -6.62 kJ/mol Joback Calculated Property
ΔfH°gas -493.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.03 kJ/mol Joback Calculated Property
ΔvapH° 80.34 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -4.89 Relay (1.0) Calculated Property
logPoct/wat 3.935 Crippen Calculated Property
McVol 211.160 ml/mol McGowan Calculated Property
Pc 2137.41 kPa Joback Calculated Property
Inp 1559.00 NIST
Tboil 570.80 K Relay (1.0) Calculated Property
Tc 820.42 K Relay (1.0) Calculated Property
Tfus 355.30 K Relay (1.0) Calculated Property
Vc 0.762 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [635.19; 765.74] J/mol×K [660.97; 894.12] Show Hide
Cp,gas 635.19 J/mol×K 660.97 Joback Calculated Property
Cp,gas 657.72 J/mol×K 699.83 Joback Calculated Property
Cp,gas 679.40 J/mol×K 738.69 Joback Calculated Property
Cp,gas 700.63 J/mol×K 777.54 Joback Calculated Property
Cp,gas 721.82 J/mol×K 816.40 Joback Calculated Property
Cp,gas 743.39 J/mol×K 855.26 Joback Calculated Property
Cp,gas 765.74 J/mol×K 894.12 Joback Calculated Property

Similar Compounds

Caryophyllene acetate. caryophillan-2,6-«beta»-oxide. Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-. Ledol, acetate. 9«alpha»-acetoxy-presilphiperfolane. 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-. 4«alpha»-Methoxy-1,1,2«alpha»,5-tetramethyldecahydrocyclopenta[cd]indene. Isoverbanol, acetate. Isoverbanol acetate. Neoverbanyl acetate. neo-Verbanol, acetate. neo-Isoverbanol, acetate. Verbanyl acetate. Isoverbanyl acetate. 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-.

Find more compounds similar to caryophyllene formate.

Sources

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