Chemical Properties of Neryl (S)-2-methylbutanoate

Neryl (S)-2-methylbutanoate

PDF Excel Molecule Calculator
InChI
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChI Key
PEQMAZJTEUEQJP-JLHYYAGUSA-N
Formula
C15H26O2
SMILES
CCC(C)C(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
238.37
Other Names
  • Neryl 2-methylbutyrate
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
Δf -17.60 kJ/mol Joback Calculated Property
Δfgas -388.15 kJ/mol Joback Calculated Property
Δfus 31.65 kJ/mol Joback Calculated Property
Δvap 57.83 kJ/mol Joback Calculated Property
log10WS -4.43 Crippen Calculated Property
logPoct/wat 4.268 Crippen Calculated Property
McVol 221.050 ml/mol McGowan Calculated Property
Pc 1612.88 kPa Joback Calculated Property
Inp [1554.00; 1584.00]   Show Hide
Inp 1554.00 NIST
Inp 1554.00 NIST
Inp 1563.00 NIST
Inp Outlier 1584.00 NIST
Inp 1561.00 NIST
Inp 1554.00 NIST
Inp 1570.00 NIST
Inp 1559.00 NIST
Inp 1562.00 NIST
Inp 1560.00 NIST
Inp 1581.00 NIST
Inp 1560.00 NIST
Inp 1559.00 NIST
I [1807.00; 1874.00]   Show Hide
I 1807.00 NIST
I 1857.00 NIST
I 1857.00 NIST
I 1857.00 NIST
I 1874.00 NIST
I 1851.00 NIST
I 1865.00 NIST
I 1807.00 NIST
I 1857.00 NIST
Tboil 626.53 K Joback Calculated Property
Tc 813.52 K Joback Calculated Property
Tfus 277.89 K Joback Calculated Property
Vc 0.856 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [580.04; 671.98] J/mol×K [626.53; 813.52] Show Hide
Cp,gas 580.04 J/mol×K 626.53 Joback Calculated Property
Cp,gas 597.38 J/mol×K 657.69 Joback Calculated Property
Cp,gas 613.87 J/mol×K 688.86 Joback Calculated Property
Cp,gas 629.53 J/mol×K 720.02 Joback Calculated Property
Cp,gas 644.42 J/mol×K 751.19 Joback Calculated Property
Cp,gas 658.56 J/mol×K 782.35 Joback Calculated Property
Cp,gas 671.98 J/mol×K 813.52 Joback Calculated Property

Similar Compounds

(Z)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate. Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Phytyl, 2-methylbutanoate. Geranyl isooctanoate. Geranyl isohexanoate. Geranyl isoheptanoate. Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl isobutanoate. ( E, E)-farnesyl 3-methylbutanoate. Neryl isovalerate. (E)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate. Geranyl isovalerate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. (2E,6E)-Farnesyl pentanoate. Neryl valerate.

Find more compounds similar to Neryl (S)-2-methylbutanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.