Chemical Properties of Methyl isovalerate (CAS 556-24-1)

Methyl isovalerate

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InChI
InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChI Key
OQAGVSWESNCJJT-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
COC(=O)CC(C)C
Molecular Weight1
116.16
CAS
556-24-1
Other Names
  • 3-Methylbutanoic acid methyl ester
  • Butanoic acid, 3-methyl-, methyl ester
  • Isovaleric acid, methyl ester
  • Methyl 3-methylbutanoate
  • Methyl 3-methylbutyrate
  • Methyl isopentanoate
  • UN 2400
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Physical Properties

Property Value Unit Source
Δcliquid -3537.20 ± 7.10 kJ/mol NIST
Δf -236.72 kJ/mol Joback Calculated Property
Δfgas -497.90 ± 7.50 kJ/mol NIST
Δfliquid -538.90 ± 7.10 kJ/mol NIST
Δfus 10.56 kJ/mol Joback Calculated Property
Δvap [41.00; 41.00] kJ/mol Show Hide
Δvap 41.00 ± 1.00 kJ/mol NIST
Δvap 41.00 kJ/mol NIST
log10WS -0.95 Crippen Calculated Property
logPoct/wat 1.205 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3302.95 kPa Joback Calculated Property
Inp [741.00; 793.00]   Show Hide
Inp 761.30 NIST
Inp 763.00 NIST
Inp 767.00 NIST
Inp 764.00 NIST
Inp 765.00 NIST
Inp Outlier 741.00 NIST
Inp Outlier 742.00 NIST
Inp 763.00 NIST
Inp 770.00 NIST
Inp 766.00 NIST
Inp 775.10 NIST
Inp 775.00 NIST
Inp 778.00 NIST
Inp 770.00 NIST
Inp 781.30 NIST
Inp 775.00 NIST
Inp 785.00 NIST
Inp 766.00 NIST
Inp 766.00 NIST
Inp 766.00 NIST
Inp 776.00 NIST
Inp 764.00 NIST
Inp 764.00 NIST
Inp 761.00 NIST
Inp 776.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 763.00 NIST
Inp 773.00 NIST
Inp Outlier 793.00 NIST
Inp 764.00 NIST
Inp 761.00 NIST
Inp 766.00 NIST
Inp 754.00 NIST
Inp 758.00 NIST
Inp 770.00 NIST
Inp Outlier 742.00 NIST
Inp 766.00 NIST
Inp 761.00 NIST
Inp 761.30 NIST
Inp 775.10 NIST
Inp 776.00 NIST
Inp Outlier 793.00 NIST
Inp 758.00 NIST
I [1008.00; 1059.00]   Show Hide
I 1019.00 NIST
I 1025.00 NIST
I 1022.00 NIST
I 1019.00 NIST
I Outlier 1059.00 NIST
I 1013.00 NIST
I 1011.00 NIST
I 1017.00 NIST
I 1010.00 NIST
I 1020.00 NIST
I 1010.00 NIST
I 1019.00 NIST
I 1019.00 NIST
I 1018.00 NIST
I 1021.00 NIST
I 1019.00 NIST
I 1016.00 NIST
I 1015.00 NIST
I 1016.00 NIST
I 1017.00 NIST
I 1012.00 NIST
I 1014.00 NIST
I 1020.00 NIST
I 1014.00 NIST
I 1008.00 NIST
I 1025.00 NIST
I 1020.00 NIST
I 1013.00 NIST
I 1022.00 NIST
Tboil [388.70; 390.55] K Show Hide
Tboil 389.70 K NIST
Tboil 390.55 ± 0.40 K NIST
Tboil 388.70 ± 1.50 K NIST
Tboil 389.65 ± 0.50 K NIST
Tboil 389.50 ± 0.50 K NIST
Tboil 389.00 ± 2.00 K NIST
Tc 594.22 K Joback Calculated Property
Tfus 214.54 K Joback Calculated Property
Vc 0.390 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [199.90; 255.87] J/mol×K [412.53; 594.22] Show Hide
Cp,gas 199.90 J/mol×K 412.53 Joback Calculated Property
Cp,gas 210.06 J/mol×K 442.81 Joback Calculated Property
Cp,gas 219.89 J/mol×K 473.09 Joback Calculated Property
Cp,gas 229.39 J/mol×K 503.38 Joback Calculated Property
Cp,gas 238.55 J/mol×K 533.66 Joback Calculated Property
Cp,gas 247.38 J/mol×K 563.94 Joback Calculated Property
Cp,gas 255.87 J/mol×K 594.22 Joback Calculated Property
η [0.0002624; 0.0046134] Pa×s [214.54; 412.53] Show Hide
η 0.0046134 Pa×s 214.54 Joback Calculated Property
η 0.0020807 Pa×s 247.54 Joback Calculated Property
η 0.0011317 Pa×s 280.54 Joback Calculated Property
η 0.0006998 Pa×s 313.53 Joback Calculated Property
η 0.0004742 Pa×s 346.53 Joback Calculated Property
η 0.0003438 Pa×s 379.53 Joback Calculated Property
η 0.0002624 Pa×s 412.53 Joback Calculated Property
ΔvapH 41.20 kJ/mol 322.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [288.32; 414.89] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47972e+01
Coefficient B-3.46759e+03
Coefficient C-4.93340e+01
Temperature range, min.288.32
Temperature range, max.414.89
Pvap 1.33 kPa 288.32 Calculated Property
Pvap 2.99 kPa 302.38 Calculated Property
Pvap 6.14 kPa 316.45 Calculated Property
Pvap 11.76 kPa 330.51 Calculated Property
Pvap 21.16 kPa 344.57 Calculated Property
Pvap 36.10 kPa 358.64 Calculated Property
Pvap 58.78 kPa 372.70 Calculated Property
Pvap 91.90 kPa 386.76 Calculated Property
Pvap 138.63 kPa 400.83 Calculated Property
Pvap 202.63 kPa 414.89 Calculated Property

Similar Compounds

Monochloromethyl isopentanoate. Pentanedioic acid, 3-methyl-, dimethyl ester. Butanoic acid, 3-methyl-, ethyl ester. 2-Methylbutanoic anhydride. Isovaleric acid, 2,2,2-trichloroethyl ester. Pentanoic acid, 3-methyl-, methyl ester. Ethanol, 2-chloro, 3-methylbutanoate. Butanoic acid, 3-methyl, 2-bromoethyl ester. Butanoic acid, 3-methyl, 2-iodoethyl ester. Butanoic acid, 3-methyl-, 1-methylethyl ester. Butanoic acid, 3-methyl, 1,1-dimethylethyl ester. Butanoic acid, 3-methyl-, propyl ester. Butanoic acid, 3,3-dimethyl-, methyl ester. Butanedioic acid, methyl-, dimethyl ester. Allyl isovalerate.

Find more compounds similar to Methyl isovalerate.

Sources

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