Chemical Properties of Butanoic acid, 1-methylhexyl ester (CAS 39026-94-3)

Butanoic acid, 1-methylhexyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3
InChI Key
GTKUPJHQSAPWLL-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCC(C)OC(=O)CCC
Molecular Weight1
186.29
CAS
39026-94-3
Other Names
  • 1-Methylhexyl butanoate
  • 2-Heptanol butanoate
  • 2-Heptyl butanoate
  • 2-Heptyl butyrate
  • heptan-2-yl butanoate
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 -194.62 kJ/mol Joback Calculated Property
Δfgas -520.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 48.85 kJ/mol Joback Calculated Property
log10WS -3.40 Crippen Calculated Property
logPoct/wat 3.298 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Inp [1194.00; 1230.00]   Show Hide
Inp 1230.00 NIST
Inp 1194.00 NIST
Inp 1199.00 NIST
Inp 1194.00 NIST
Inp 1198.00 NIST
Inp 1194.00 NIST
Inp 1197.00 NIST
Inp 1230.00 NIST
Inp 1194.00 NIST
I [1388.00; 1401.00]   Show Hide
I 1390.00 NIST
I 1396.00 NIST
I 1401.00 NIST
I 1388.00 NIST
I 1396.00 NIST
Tboil 526.93 K Joback Calculated Property
Tc 701.19 K Joback Calculated Property
Tfus 270.89 K Joback Calculated Property
Vc 0.669 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [415.48; 498.48] J/mol×K [526.93; 701.19] Show Hide
Cp,gas 415.48 J/mol×K 526.93 Joback Calculated Property
Cp,gas 430.78 J/mol×K 555.97 Joback Calculated Property
Cp,gas 445.49 J/mol×K 585.02 Joback Calculated Property
Cp,gas 459.60 J/mol×K 614.06 Joback Calculated Property
Cp,gas 473.13 J/mol×K 643.11 Joback Calculated Property
Cp,gas 486.09 J/mol×K 672.15 Joback Calculated Property
Cp,gas 498.48 J/mol×K 701.19 Joback Calculated Property
η [0.0001937; 0.0044896] Pa×s [270.89; 526.93] Show Hide
η 0.0044896 Pa×s 270.89 Joback Calculated Property
η 0.0018616 Pa×s 313.56 Joback Calculated Property
η 0.0009531 Pa×s 356.24 Joback Calculated Property
η 0.0005632 Pa×s 398.91 Joback Calculated Property
η 0.0003684 Pa×s 441.58 Joback Calculated Property
η 0.0002597 Pa×s 484.26 Joback Calculated Property
η 0.0001937 Pa×s 526.93 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [369.32; 524.49] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47715e+01
Coefficient B-4.23199e+03
Coefficient C-7.71340e+01
Temperature range, min.369.32
Temperature range, max.524.49
Pvap 1.33 kPa 369.32 Calculated Property
Pvap 2.99 kPa 386.56 Calculated Property
Pvap 6.15 kPa 403.80 Calculated Property
Pvap 11.77 kPa 421.04 Calculated Property
Pvap 21.19 kPa 438.28 Calculated Property
Pvap 36.14 kPa 455.53 Calculated Property
Pvap 58.83 kPa 472.77 Calculated Property
Pvap 91.96 kPa 490.01 Calculated Property
Pvap 138.69 kPa 507.25 Calculated Property
Pvap 202.65 kPa 524.49 Calculated Property

Similar Compounds

Butanoic acid, 1-methyloctyl ester. Butanoic acid, 2-octyl ester. 2-Hexanol butanoate. 2-Heptanol, pentanoate. Hexanoic acid, 1-methylhexyl ester. Pentanoic acid, 2-octyl ester. 2-nonyl hexanoate. Adipic acid, di(2-heptyl) ester. di-(1-Methylhexyl)pimelate. 2-heptyl octanoate. Adipic acid, di(2-decyl) ester. Octanoic acid, 2-octyl ester. di-(1-Methylhexyl)suberate. Sebacic acid, di(2-decyl) ester. di-(1-Methylhexyl)azelate.

Find more compounds similar to Butanoic acid, 1-methylhexyl ester.

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.