Chemical Properties of Lavandulyl isobutyrate (CAS 51117-20-5)

Lavandulyl isobutyrate

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InChI
InChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3
InChI Key
HPBLXFPAJRUZKY-UHFFFAOYSA-N
Formula
C14H24O2
SMILES
C=C(C)C(CC=C(C)C)COC(=O)C(C)C
Molecular Weight1
224.34
CAS
51117-20-5
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Physical Properties

Property Value Unit Source
Δf -20.84 kJ/mol Joback Calculated Property
Δfgas -364.58 kJ/mol Joback Calculated Property
Δfus 24.06 kJ/mol Joback Calculated Property
Δvap 54.59 kJ/mol Joback Calculated Property
log10WS -3.77 Crippen Calculated Property
logPoct/wat 3.734 Crippen Calculated Property
McVol 206.960 ml/mol McGowan Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Inp [1404.00; 1417.30]   Show Hide
Inp 1404.00 NIST
Inp 1410.00 NIST
Inp 1417.30 NIST
I 1677.00 NIST
Tboil 595.73 K Joback Calculated Property
Tc 784.18 K Joback Calculated Property
Tfus 254.94 K Joback Calculated Property
Vc 0.794 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [526.35; 617.03] J/mol×K [595.73; 784.18] Show Hide
Cp,gas 526.35 J/mol×K 595.73 Joback Calculated Property
Cp,gas 543.47 J/mol×K 627.14 Joback Calculated Property
Cp,gas 559.75 J/mol×K 658.55 Joback Calculated Property
Cp,gas 575.21 J/mol×K 689.96 Joback Calculated Property
Cp,gas 589.90 J/mol×K 721.36 Joback Calculated Property
Cp,gas 603.83 J/mol×K 752.77 Joback Calculated Property
Cp,gas 617.03 J/mol×K 784.18 Joback Calculated Property

Similar Compounds

(R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate. Lavandulyl propionate. Lavandulyl acetate. (E)-Sesquilavandulyl acetate. Lavandulyl butyrate. Lavandulyl isovalerate. Lavandulyl 2-methylbutanoate. Lavandulyl pentanoate. Trifluoroacetyl-lavandulol. Lavandulyl caproate. (.+/-.)-Lavandulol, pentafluoropropionate. (.+/-.)-Lavandulol, chlorodifluoroacetate. (.+/-.)-Lavandulol, methyl ether. Pentadeca-2,5E,13-triene, 7-acetoxymethyl-10-methylene-2,6,14-trimethyl (Peucelinene acetate). Lavandulyle 2-methylbutyrate.

Find more compounds similar to Lavandulyl isobutyrate.

Sources

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