Chemical Properties of 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone

2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone

InChI
InChI=1S/C12H18O3/c1-4-5-6-7-8-14-12-10(3)15-9(2)11(12)13/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChI Key
MMUPBVLKMLEXCF-AATRIKPKSA-N
Formula
C12H18O3
SMILES
CCC=CCCOC1=C(C)OC(C)C1=O
Molecular Weight1
210.27
Other Names
  • 3(2H)-Furanone, 2,5-dimethyl-4-[(Z)-3-hexenyloxy]
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5070 Relay (1.0) Calculated Property
ΔfG° -136.08 kJ/mol Joback Calculated Property
ΔfH°gas -491.60 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.09 kJ/mol Joback Calculated Property
ΔvapH° 67.40 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -2.46 Relay (1.0) Calculated Property
logPoct/wat 2.579 Crippen Calculated Property
McVol 173.790 ml/mol McGowan Calculated Property
Pc 2218.71 kPa Joback Calculated Property
Inp 1480.00 NIST
Tboil 519.34 K Relay (1.0) Calculated Property
Tc 727.12 K Relay (1.0) Calculated Property
Tfus 283.03 K Relay (1.0) Calculated Property
Vc 0.628 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [456.57; 542.17] J/mol×K [619.71; 828.25] Show Hide
Cp,gas 456.57 J/mol×K 619.71 Joback Calculated Property
Cp,gas 472.84 J/mol×K 654.47 Joback Calculated Property
Cp,gas 488.31 J/mol×K 689.22 Joback Calculated Property
Cp,gas 502.98 J/mol×K 723.98 Joback Calculated Property
Cp,gas 516.85 J/mol×K 758.74 Joback Calculated Property
Cp,gas 529.91 J/mol×K 793.49 Joback Calculated Property
Cp,gas 542.17 J/mol×K 828.25 Joback Calculated Property

Similar Compounds

2,5-Dimethyl-4-butoxy-3(2H)furanone. 2,5-Dimethyl-4-(3-methylbutoxy)-3(2H)furanone. 2,5-Dimethyl-4-ethoxy-3(2H)furanone. 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate. 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-. Furaneol, «beta»-D-glucopyranoside, TFA. 5-Ethyl-2-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. Supinine, diTMS. GA5-13-O-«beta»-D-glucopyranoside, permethyl. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC. Butanoic acid, 2-(1-methylethyl)-2,3-bis[(trimethylsilyl)oxy]-, [2,3,5,7a-tetrahydro-1-[(trimethylsilyl)oxy]-1H-pyrrolizin-7-yl]methy l ester, [1R-[1«alpha»,7(2R*,3S*),7a«beta»]]-. uplandicine. acetylintermedine. Tetrazepam M (norhydroxy-), hydrolysis, acetylated.

Find more compounds similar to 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone.

Sources

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.