Chemical Properties of 3-Propylglutaric acid

3-Propylglutaric acid

InChI
InChI=1S/C8H14O4/c1-2-3-6(4-7(9)10)5-8(11)12/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
InChI Key
YHJZYPZZBZPIPX-UHFFFAOYSA-N
Formula
C8H14O4
SMILES
CCCC(CC(=O)O)CC(=O)O
Molecular Weight1
174.20
Other Names
  • «beta»-n-Propylglutaric acid
  • 3-n-Propylglutaric acid
  • Pentanedioic acid, 3-propyl-
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Physical Properties

Property Value Unit Source
ω 0.8424 Relay (1.0) Calculated Property
ΔfG° -673.78 kJ/mol Joback Calculated Property
ΔfH°gas -890.55 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.24 kJ/mol Joback Calculated Property
ΔvapH° 102.34 kJ/mol Relay (1.0) Calculated Property
IE 10.00 eV Relay (1.0) Calculated Property
log10WS -1.17 Relay (1.0) Calculated Property
logPoct/wat 1.352 Crippen Calculated Property
McVol 138.460 ml/mol McGowan Calculated Property
Pc 3086.42 kPa Joback Calculated Property
Tboil 521.87 K Relay (1.0) Calculated Property
Tc 735.65 K Relay (1.0) Calculated Property
Tfus 337.99 K Relay (1.0) Calculated Property
Vc 0.486 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [202.12; 454.15] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.13400e+00
Coefficient B8.71320e-01
Coefficient C-5.59800e-04
Coefficient D1.39500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 202.12 J/mol×K 273.00 Calculated Property
Cp,gas 247.50 J/mol×K 353.78 Calculated Property
Cp,gas 287.51 J/mol×K 434.56 Calculated Property
Cp,gas 322.58 J/mol×K 515.33 Calculated Property
Cp,gas 353.16 J/mol×K 596.11 Calculated Property
Cp,gas 379.70 J/mol×K 676.89 Calculated Property
Cp,gas 402.62 J/mol×K 757.67 Calculated Property
Cp,gas 422.38 J/mol×K 838.44 Calculated Property
Cp,gas 439.41 J/mol×K 919.22 Calculated Property
Cp,gas 454.15 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0008282; 0.0002698] Pa×s [486.12; 612.66] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.25258e+01
Coefficient B2.63942e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.486.12
Temperature range, max.612.66
η 0.0008282 Pa×s 486.12 Calculated Property
η 0.0007110 Pa×s 500.18 Calculated Property
η 0.0006155 Pa×s 514.24 Calculated Property
η 0.0005369 Pa×s 528.30 Calculated Property
η 0.0004717 Pa×s 542.36 Calculated Property
η 0.0004171 Pa×s 556.42 Calculated Property
η 0.0003711 Pa×s 570.48 Calculated Property
η 0.0003320 Pa×s 584.54 Calculated Property
η 0.0002986 Pa×s 598.60 Calculated Property
η 0.0002698 Pa×s 612.66 Calculated Property

Similar Compounds

3-Methyl hexanoic acid. 3-Ethylheptanoic acid. Decanoic acid, 3-methyl-. Ethyl nerolate. Cyclopentaneacetic acid. Cyclohexaneacetic acid. (R)-(+)-3-Methyladipic acid. Pentanoic acid, 3-methyl-. 2-Norbornaneacetic acid. Hexanoic acid, 3,5,5-trimethyl-. 3,4-dimethylpentanoic acid. 3,7-Dimethyl-6-oxo-octanoic acid. Hexanoic acid, 4-methyl-. 6-methylheptanoic acid. 5-methylhexanoic acid.

Find more compounds similar to 3-Propylglutaric acid.

Sources

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