Chemical Properties of Methyl valerate (CAS 624-24-8)

Methyl valerate

InChI
InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
InChI Key
HNBDRPTVWVGKBR-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCC(=O)OC
Molecular Weight1
116.16
CAS
624-24-8
Other Names
  • CH3(CH2)3COOCH3
  • Methyl ester of pentanoic acid
  • Methyl n-valerate
  • Methyl pentanoate
  • Methyl valerianate
  • Pentanoic acid, methyl ester
  • Propyl propanoate
  • Valeric acid, methyl ester
  • n-Valeric acid methyl ester
  • valeric acid methyl ester
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Physical Properties

Property Value Unit Source
ω 0.4362 Relay (1.0) Calculated Property
Δcliquid [-3561.70; -3548.00] kJ/mol Show Hide
Δcliquid -3561.70 ± 0.60 kJ/mol NIST
Δcliquid -3548.00 kJ/mol NIST
Δf -234.28 kJ/mol Joback Calculated Property
Δfgas [-485.00; -472.00] kJ/mol Show Hide
Δfgas -472.00 ± 2.00 kJ/mol NIST
Δfgas -485.00 ± 2.00 kJ/mol NIST
Δfliquid [-527.00; -514.20] kJ/mol Show Hide
Δfliquid -514.20 ± 7.10 kJ/mol NIST
Δfliquid -527.00 kJ/mol NIST
Δfus 14.08 kJ/mol Joback Calculated Property
Δvap 41.46 kJ/mol Relay (1.0) Calculated Property
IE 10.40 ± 0.20 eV NIST
log10WS [-1.36; -1.34]   Show Hide
log10WS -1.36 Aq. Solubility Prediction
log10WS -1.34 Estimated Solubility
logPoct/wat 1.350 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3190.00 ± 202.65 kPa NIST
ρc 278.78 ± 19.75 kg/m3 NIST
Inp [784.00; 852.00]   Show Hide
Inp 822.80 NIST
Inp 821.90 NIST
Inp 821.20 NIST
Inp 794.00 NIST
Inp 802.00 NIST
Inp 806.00 NIST
Inp 816.00 NIST
Inp 807.00 NIST
Inp 812.00 NIST
Inp 814.00 NIST
Inp 800.00 NIST
Inp 806.00 NIST
Inp 810.00 NIST
Inp 807.00 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 825.00 NIST
Inp 804.00 NIST
Inp 808.80 NIST
Inp 807.00 NIST
Inp Outlier 852.00 NIST
Inp 808.00 NIST
Inp 821.00 NIST
Inp 825.00 NIST
Inp 808.00 NIST
Inp 823.00 NIST
Inp 809.00 NIST
Inp 821.00 NIST
Inp 829.10 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 811.00 NIST
Inp 806.00 NIST
Inp 810.00 NIST
Inp 810.00 NIST
Inp 807.00 NIST
Inp 806.00 NIST
Inp Outlier 784.00 NIST
Inp 830.00 NIST
Inp 807.00 NIST
Inp 806.00 NIST
Inp 808.00 NIST
Inp 823.00 NIST
Inp 808.80 NIST
Inp 821.00 NIST
Inp 822.80 NIST
Inp 806.00 NIST
Inp 800.00 NIST
Inp 830.00 NIST
I [1075.00; 1123.00]   Show Hide
I 1083.00 NIST
I Outlier 1123.00 NIST
I 1081.00 NIST
I 1085.00 NIST
I 1089.00 NIST
I 1075.00 NIST
I 1086.00 NIST
I 1096.00 NIST
I 1090.00 NIST
I 1084.00 NIST
I 1090.00 NIST
I 1095.00 NIST
I 1082.00 NIST
I 1087.00 NIST
I 1086.00 NIST
I 1081.00 NIST
I 1085.00 NIST
I 1076.00 NIST
I 1082.00 NIST
I 1083.00 NIST
I 1076.00 NIST
I Outlier 1109.00 NIST
I 1083.00 NIST
Tboil 400.48 K Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Tc [556.70; 566.90] K Show Hide
Tc 556.70 ± 20.00 K NIST
Tc 566.90 ± 20.00 K NIST
Tfus 182.50 ± 0.05 K NIST
Vc 0.385 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [199.87; 254.27] J/mol×K [412.97; 590.55] Show Hide
Cp,gas 199.87 J/mol×K 412.97 Joback Calculated Property
Cp,gas 209.71 J/mol×K 442.57 Joback Calculated Property
Cp,gas 219.25 J/mol×K 472.16 Joback Calculated Property
Cp,gas 228.47 J/mol×K 501.76 Joback Calculated Property
Cp,gas 237.38 J/mol×K 531.36 Joback Calculated Property
Cp,gas 245.98 J/mol×K 560.96 Joback Calculated Property
Cp,gas 254.27 J/mol×K 590.55 Joback Calculated Property
Cp,liquid [226.11; 229.30] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 226.11 J/mol×K 298.15 NIST
Cp,liquid 229.30 J/mol×K 298.15 NIST
η [0.0005510; 0.0008160] Pa×s [283.15; 313.15] Show Hide
η 0.0008160 Pa×s 283.15 A Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + n-Octane + 1-Hexanol and their Binary Subsystems at Various Temperatures.
η 0.0007120 Pa×s 293.15 A Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + n-Octane + 1-Hexanol and their Binary Subsystems at Various Temperatures.
η 0.0006610 Pa×s 298.15 A Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + n-Octane + 1-Hexanol and their Binary Subsystems at Various Temperatures.
η 0.0006230 Pa×s 303.15 A Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + n-Octane + 1-Hexanol and their Binary Subsystems at Various Temperatures.
η 0.0005510 Pa×s 313.15 A Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + n-Octane + 1-Hexanol and their Binary Subsystems at Various Temperatures.
ΔvapH [39.20; 44.40] kJ/mol [350.00; 414.00] Show Hide
ΔvapH 41.30 kJ/mol 350.00 NIST
ΔvapH 42.50 kJ/mol 354.00 NIST
ΔvapH 44.10 ± 0.10 kJ/mol 382.50 NIST
ΔvapH 39.20 kJ/mol 390.50 NIST
ΔvapH 44.40 kJ/mol 414.00 NIST
Pvap [0.34; 101.30] kPa [274.90; 400.48] Show Hide
Pvap 0.34 kPa 274.90 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.34 kPa 275.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.42 kPa 278.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.46 kPa 279.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.52 kPa 281.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.56 kPa 282.60 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.64 kPa 284.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.60 kPa 284.30 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.62 kPa 284.50 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.69 kPa 285.50 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.75 kPa 287.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.79 kPa 288.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.78 kPa 288.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.82 kPa 288.50 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.83 kPa 288.70 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.87 kPa 289.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 0.93 kPa 290.30 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.03 kPa 292.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.09 kPa 293.30 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.13 kPa 293.40 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.23 kPa 294.50 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.33 kPa 296.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.51 kPa 297.50 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.52 kPa 298.30 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.61 kPa 299.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.58 kPa 299.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.97 kPa 302.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 1.94 kPa 302.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 2.27 kPa 305.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 2.65 kPa 308.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 3.11 kPa 311.20 Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap 29.41 kPa 361.82 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 35.06 kPa 366.70 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 40.47 kPa 370.86 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 45.81 kPa 374.53 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 52.83 kPa 378.84 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 59.35 kPa 382.55 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 60.00 kPa 383.29 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 69.02 kPa 387.18 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 77.71 kPa 391.14 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 88.17 kPa 395.42 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 95.08 kPa 398.03 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 100.40 kPa 400.07 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
Pvap 101.30 kPa 400.48 Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
n0 [1.39470; 1.39710]   [298.15; 298.15] Show Hide
n0 1.39500 298.15 Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
n0 1.39520 298.15 Mixing thermodynamic properties of ester-containing solutions: A study on the ternary (methyl alkanoate (pentanoate and methanoate) + methanol) and the corresponding binaries. New contributions to the (ester + ester) interactions
n0 1.39680 298.15 A Study on Alkane + Ester + Ester Systems. Physicochemical Behavior of Binaries and Ternaries of Octane or Iso-octane with Methyl Esters (Ethanoate, Butanoate, Pentanoate)
n0 1.39470 298.15 Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane
n0 1.39710 298.15 Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa
n0 1.39710 298.15 Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
ρl 885.66 kg/m3 298.15 Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
λ [0.12; 0.14] W/m×K [285.55; 362.16] Show Hide
λ 0.14 W/m×K 285.55 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.14 W/m×K 290.39 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.14 W/m×K 295.51 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.14 W/m×K 298.99 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.14 W/m×K 305.50 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.13 W/m×K 312.35 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.13 W/m×K 320.42 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.13 W/m×K 327.35 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.13 W/m×K 333.50 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.12 W/m×K 340.41 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.12 W/m×K 348.36 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.12 W/m×K 355.39 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λ 0.12 W/m×K 362.16 Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
293.15 100.00 890.18
293.15 1000.00 890.39
293.15 3000.00 892.23
293.15 5000.00 893.59
293.15 10000.00 897.77
293.15 15000.00 901.59
293.15 20000.00 905.28
293.15 25000.00 908.91
293.15 30000.00 912.4
293.15 35000.00 915.63
293.15 40000.00 918.78
293.15 50000.00 925.12
293.15 60000.00 930.63
303.15 100.00 879.57
303.15 1000.00 880.52
303.15 3000.00 882.29
303.15 5000.00 884.05
303.15 10000.00 888.3
303.15 15000.00 892.37
303.15 20000.00 896.14
303.15 25000.00 899.89
303.15 30000.00 903.55
303.15 35000.00 906.97
303.15 40000.00 910.27
303.15 50000.00 916.73
303.15 60000.00 922.74
313.15 100.00 869.49
313.15 1000.00 869.89
313.15 3000.00 871.87
313.15 5000.00 873.76
313.15 10000.00 878.33
313.15 15000.00 882.44
313.15 20000.00 886.62
313.15 25000.00 890.61
313.15 30000.00 894.38
313.15 35000.00 898.09
313.15 40000.00 901.45
313.15 50000.00 908.24
313.15 60000.00 914.32
323.15 100.00 858.83
323.15 1000.00 859.81
323.15 3000.00 861.81
323.15 5000.00 863.85
323.15 10000.00 868.67
323.15 15000.00 873.18
323.15 20000.00 877.67
323.15 25000.00 881.64
323.15 30000.00 885.65
323.15 35000.00 889.44
323.15 40000.00 893.13
323.15 50000.00 900.12
323.15 60000.00 906.77
333.15 100.00 848.52
333.15 1000.00 849.45
333.15 3000.00 851.71
333.15 5000.00 853.79
333.15 10000.00 858.86
333.15 15000.00 863.66
333.15 20000.00 868.26
333.15 25000.00 872.72
333.15 30000.00 876.79
333.15 35000.00 880.79
333.15 40000.00 884.78
333.15 50000.00 892.02
333.15 60000.00 898.8
343.15 100.00 837.8
343.15 1000.00 839.04
343.15 3000.00 841.41
343.15 5000.00 843.76
343.15 10000.00 849.05
343.15 15000.00 854.23
343.15 20000.00 859.25
343.15 25000.00 863.69
343.15 30000.00 868.17
343.15 35000.00 872.41
343.15 40000.00 876.28
343.15 50000.00 884.03
343.15 60000.00 890.84
353.15 100.00 827.35
353.15 1000.00 828.43
353.15 3000.00 831.13
353.15 5000.00 833.48
353.15 10000.00 839.27
353.15 15000.00 844.84
353.15 20000.00 849.86
353.15 25000.00 854.79
353.15 30000.00 859.45
353.15 35000.00 863.9
353.15 40000.00 868.0
353.15 50000.00 875.94
353.15 60000.00 883.37
363.15 100.00 816.63
363.15 1000.00 817.89
363.15 3000.00 820.7
363.15 5000.00 823.32
363.15 10000.00 829.23
363.15 15000.00 835.46
363.15 20000.00 840.59
363.15 25000.00 845.61
363.15 30000.00 850.57
363.15 35000.00 855.31
363.15 40000.00 859.8
363.15 50000.00 868.09
363.15 60000.00 875.9
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [297.44; 438.38] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40423e+01
Coefficient B-3.36903e+03
Coefficient C-5.25030e+01
Temperature range, min.297.44
Temperature range, max.438.38
Pvap 1.33 kPa 297.44 Calculated Property
Pvap 3.05 kPa 313.10 Calculated Property
Pvap 6.34 kPa 328.76 Calculated Property
Pvap 12.20 kPa 344.42 Calculated Property
Pvap 21.95 kPa 360.08 Calculated Property
Pvap 37.32 kPa 375.74 Calculated Property
Pvap 60.41 kPa 391.40 Calculated Property
Pvap 93.71 kPa 407.06 Calculated Property
Pvap 140.07 kPa 422.72 Calculated Property
Pvap 202.64 kPa 438.38 Calculated Property
Pvap [6.52; 2812.70] kPa [318.15; 575.15] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.06981e+02
Coefficient B-8.88364e+03
Coefficient C-1.35161e+01
Coefficient D6.94116e-06
Temperature range, min.318.15
Temperature range, max.575.15
Pvap 6.52 kPa 318.15 Calculated Property
Pvap 23.20 kPa 346.71 Calculated Property
Pvap 64.54 kPa 375.26 Calculated Property
Pvap 149.08 kPa 403.82 Calculated Property
Pvap 298.76 kPa 432.37 Calculated Property
Pvap 536.55 kPa 460.93 Calculated Property
Pvap 884.91 kPa 489.48 Calculated Property
Pvap 1365.45 kPa 518.04 Calculated Property
Pvap 2000.03 kPa 546.59 Calculated Property
Pvap 2812.70 kPa 575.15 Calculated Property

Similar Compounds

Hexanoic acid, methyl ester. Heptanoic acid, methyl ester. Methyl tetradecanoate. Octacosanoic acid, methyl ester. Eicosanoic acid, methyl ester. Heneicosanoic acid, methyl ester. Pentacosanoic acid, methyl ester. Nonadecanoic acid, methyl ester. Tricosanoic acid, methyl ester. Heptacosanoic acid, methyl ester. Nonanoic acid, methyl ester. Triacontanoic acid, methyl ester. Undecanoic acid, methyl ester. Dodecanoic acid, methyl ester. Methyl stearate.

Find more compounds similar to Methyl valerate.

Mixtures

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