Chemical Properties of Heptanoic acid, 3-methylbutyl ester (CAS 109-25-1)

Heptanoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3
InChI Key
AFCXVDRTNQNGHS-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCC(=O)OCCC(C)C
Molecular Weight1
200.32
CAS
109-25-1
Other Names
  • iso-Amyl n-heptanoate
  • 3-Methylbutyl heptanoate
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Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
log10WS -3.47 Crippen Calculated Property
logPoct/wat 3.546 Crippen Calculated Property
McVol 187.380 ml/mol McGowan Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Inp [1333.00; 1334.00]   Show Hide
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1333.00 NIST
I [1548.00; 1552.00]   Show Hide
I 1552.00 NIST
I 1548.00 NIST
I 1548.00 NIST
I 1552.00 NIST
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.726 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.44; 551.11] J/mol×K [549.81; 722.69] Show Hide
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
Cp,gas 480.46 J/mol×K 578.62 Joback Calculated Property
Cp,gas 495.83 J/mol×K 607.44 Joback Calculated Property
Cp,gas 510.57 J/mol×K 636.25 Joback Calculated Property
Cp,gas 524.69 J/mol×K 665.07 Joback Calculated Property
Cp,gas 538.20 J/mol×K 693.88 Joback Calculated Property
Cp,gas 551.11 J/mol×K 722.69 Joback Calculated Property
η [0.0001764; 0.0042661] Pa×s [282.16; 549.81] Show Hide
η 0.0042661 Pa×s 282.16 Joback Calculated Property
η 0.0017460 Pa×s 326.77 Joback Calculated Property
η 0.0008857 Pa×s 371.38 Joback Calculated Property
η 0.0005197 Pa×s 415.99 Joback Calculated Property
η 0.0003381 Pa×s 460.59 Joback Calculated Property
η 0.0002373 Pa×s 505.20 Joback Calculated Property
η 0.0001764 Pa×s 549.81 Joback Calculated Property

Similar Compounds

Octanoic acid, 3-methylbutyl ester. 3-methylbutyl tetradecanoate. Pentadecanoic acid, 3-methylbutyl ester. Isoamyl laurate. Nonanoic acid, 3-methylbutyl ester. Isoamyl undecanoate. isopentyl stearate. 3-methylbutyl hexadecanoate. Sebacic acid, di(3-methylbutyl) ester. Isopentyl hexanoate. Pimelic acid, di(3-methylbutyl) ester. Sebacic acid, butyl 3-methylbutyl ester. Pimelic acid, butyl 3-methylbutyl ester. Pimelic acid, ethyl 3-methylbutyl ester. Sebacic acid, 3-methylbutyl propyl ester.

Find more compounds similar to Heptanoic acid, 3-methylbutyl ester.

Sources

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