Chemical Properties of Pentanoic acid, 4-methyl- (CAS 646-07-1)

Pentanoic acid, 4-methyl-

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InChI
InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key
FGKJLKRYENPLQH-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(C)CCC(=O)O
Molecular Weight1
116.16
CAS
646-07-1
Other Names
  • 4,4-Dimethylbutanoic acid
  • 4-Methyl-n-valeric acid
  • 4-Methylpentanoic acid
  • 4-Methylvaleric acid
  • ISO-CAPROIC ACID
  • Isobutylacetic acid
  • Isocaproic acid
  • Isohexanoic acid
  • Isohexoic acid
  • NSC 4126
  • Valeric acid, 4-methyl-

Physical Properties

Property Value Unit Source
Δf -268.54 kJ/mol Joback Calculated Property
Δfgas -437.26 kJ/mol Joback Calculated Property
Δfus 13.46 kJ/mol Joback Calculated Property
Δvap 51.99 kJ/mol Joback Calculated Property
log10WS -1.19 Crippen Calculated Property
logPoct/wat 1.507 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3759.17 kPa Joback Calculated Property
Inp [921.00; 955.00]   Show Hide
Inp 937.00 NIST
Inp 949.00 NIST
Inp 921.00 NIST
Inp 935.00 NIST
Inp 955.00 NIST
Inp 937.00 NIST
I [1774.00; 1824.00]   Show Hide
I 1800.00 NIST
I 1817.00 NIST
I Outlier 1774.00 NIST
I 1820.00 NIST
I 1824.00 NIST
I 1813.00 NIST
I 1803.00 NIST
I 1795.00 NIST
I 1809.00 NIST
I 1800.00 NIST
I 1795.00 NIST
Tboil 482.29 K Joback Calculated Property
Tc 657.19 K Joback Calculated Property
Tfus 253.13 K Joback Calculated Property
Vc 0.391 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [223.83; 273.38] J/mol×K [482.29; 657.19] Show Hide
Cp,gas 223.83 J/mol×K 482.29 Joback Calculated Property
Cp,gas 233.01 J/mol×K 511.44 Joback Calculated Property
Cp,gas 241.81 J/mol×K 540.59 Joback Calculated Property
Cp,gas 250.24 J/mol×K 569.74 Joback Calculated Property
Cp,gas 258.31 J/mol×K 598.89 Joback Calculated Property
Cp,gas 266.02 J/mol×K 628.04 Joback Calculated Property
Cp,gas 273.38 J/mol×K 657.19 Joback Calculated Property
η [0.0001967; 0.0437428] Pa×s [253.13; 482.29] Show Hide
η 0.0437428 Pa×s 253.13 Joback Calculated Property
η 0.0098475 Pa×s 291.32 Joback Calculated Property
η 0.0031323 Pa×s 329.52 Joback Calculated Property
η 0.0012640 Pa×s 367.71 Joback Calculated Property
η 0.0006050 Pa×s 405.90 Joback Calculated Property
η 0.0003288 Pa×s 444.10 Joback Calculated Property
η 0.0001967 Pa×s 482.29 Joback Calculated Property
ΔvapH 91.70 kJ/mol 410.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [378.45; 495.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37649e+01
Coefficient B-2.66279e+03
Coefficient C-1.80874e+02
Temperature range, min.378.45
Temperature range, max.495.87
Pvap 1.33 kPa 378.45 Calculated Property
Pvap 3.07 kPa 391.50 Calculated Property
Pvap 6.42 kPa 404.54 Calculated Property
Pvap 12.38 kPa 417.59 Calculated Property
Pvap 22.28 kPa 430.64 Calculated Property
Pvap 37.82 kPa 443.68 Calculated Property
Pvap 61.07 kPa 456.73 Calculated Property
Pvap 94.44 kPa 469.78 Calculated Property
Pvap 140.64 kPa 482.82 Calculated Property
Pvap 202.65 kPa 495.87 Calculated Property
Pvap [0.09; 104.25] kPa [339.15; 481.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.31866e+03
Coefficient B-6.70896e+04
Coefficient C-1.95683e+02
Coefficient D1.46843e-04
Temperature range, min.339.15
Temperature range, max.481.15
Pvap 0.09 kPa 339.15 Calculated Property
Pvap 0.41 kPa 354.93 Calculated Property
Pvap 1.37 kPa 370.71 Calculated Property
Pvap 3.68 kPa 386.48 Calculated Property
Pvap 8.25 kPa 402.26 Calculated Property
Pvap 16.07 kPa 418.04 Calculated Property
Pvap 28.16 kPa 433.82 Calculated Property
Pvap 45.66 kPa 449.59 Calculated Property
Pvap 70.17 kPa 465.37 Calculated Property
Pvap 104.25 kPa 481.15 Calculated Property

Similar Compounds

Hexanoic acid, 4-methyl-. 4-Methyloctanoic acid. 5-methylhexanoic acid. 4-Ethyloctanoic acid. 13-methyltetradecanoic acid. Tridecanoic acid, 12-methyl. 15-methylhexadecanoic acid. isopentadecanoic acid. 14-methylpentadecanoic acid. 11-methyldodecanoic acid. Isoundecanoic acid. Cyclopentanepropanoic acid. Cyclohexanepropanoic acid. (R)-(+)-3-Methyladipic acid. Cyclopentaneundecanoic acid.

Find more compounds similar to Pentanoic acid, 4-methyl-.

Sources

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

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