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

Methyl valerate

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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
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 38.11 kJ/mol Joback Calculated Property
IE 10.40 ± 0.20 eV NIST
log10WS [-1.36; -1.34]   Show Hide
log10WS -1.36 Aq. Sol...
log10WS -1.34 Estimat...
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 L...
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 0.396 m3/kmol Joback 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...
η 0.0007120 Pa×s 293.15 A Study...
η 0.0006610 Pa×s 298.15 A Study...
η 0.0006230 Pa×s 303.15 A Study...
η 0.0005510 Pa×s 313.15 A Study...
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 Transpi...
Pvap 0.34 kPa 275.20 Transpi...
Pvap 0.42 kPa 278.20 Transpi...
Pvap 0.46 kPa 279.40 Transpi...
Pvap 0.52 kPa 281.20 Transpi...
Pvap 0.56 kPa 282.60 Transpi...
Pvap 0.64 kPa 284.20 Transpi...
Pvap 0.60 kPa 284.30 Transpi...
Pvap 0.62 kPa 284.50 Transpi...
Pvap 0.69 kPa 285.50 Transpi...
Pvap 0.75 kPa 287.40 Transpi...
Pvap 0.78 kPa 288.40 Transpi...
Pvap 0.79 kPa 288.40 Transpi...
Pvap 0.82 kPa 288.50 Transpi...
Pvap 0.83 kPa 288.70 Transpi...
Pvap 0.87 kPa 289.20 Transpi...
Pvap 0.93 kPa 290.30 Transpi...
Pvap 1.03 kPa 292.40 Transpi...
Pvap 1.09 kPa 293.30 Transpi...
Pvap 1.13 kPa 293.40 Transpi...
Pvap 1.23 kPa 294.50 Transpi...
Pvap 1.33 kPa 296.20 Transpi...
Pvap 1.51 kPa 297.50 Transpi...
Pvap 1.52 kPa 298.30 Transpi...
Pvap 1.61 kPa 299.20 Transpi...
Pvap 1.58 kPa 299.20 Transpi...
Pvap 1.97 kPa 302.20 Transpi...
Pvap 1.94 kPa 302.20 Transpi...
Pvap 2.27 kPa 305.20 Transpi...
Pvap 2.65 kPa 308.20 Transpi...
Pvap 3.11 kPa 311.20 Transpi...
Pvap 29.41 kPa 361.82 Vapor L...
Pvap 35.06 kPa 366.70 Vapor L...
Pvap 40.47 kPa 370.86 Vapor L...
Pvap 45.81 kPa 374.53 Vapor L...
Pvap 52.83 kPa 378.84 Vapor L...
Pvap 59.35 kPa 382.55 Vapor L...
Pvap 60.00 kPa 383.29 Vapor L...
Pvap 69.02 kPa 387.18 Vapor L...
Pvap 77.71 kPa 391.14 Vapor L...
Pvap 88.17 kPa 395.42 Vapor L...
Pvap 95.08 kPa 398.03 Vapor L...
Pvap 100.40 kPa 400.07 Vapor L...
Pvap 101.30 kPa 400.48 Vapor L...
n0 [1.39470; 1.39710]   [298.15; 298.15] Show Hide
n0 1.39500 298.15 Thermod...
n0 1.39520 298.15 Mixing ...
n0 1.39680 298.15 A Study...
n0 1.39470 298.15 Isobari...
n0 1.39710 298.15 Vapor-L...
n0 1.39710 298.15 Vapor-L...
ρl 885.66 kg/m3 298.15 Densiti...
λ [0.12; 0.14] W/m×K [285.55; 362.16] Show Hide
λ 0.14 W/m×K 285.55 Experim...
λ 0.14 W/m×K 290.39 Experim...
λ 0.14 W/m×K 295.51 Experim...
λ 0.14 W/m×K 298.99 Experim...
λ 0.14 W/m×K 305.50 Experim...
λ 0.13 W/m×K 312.35 Experim...
λ 0.13 W/m×K 320.42 Experim...
λ 0.13 W/m×K 327.35 Experim...
λ 0.13 W/m×K 333.50 Experim...
λ 0.12 W/m×K 340.41 Experim...
λ 0.12 W/m×K 348.36 Experim...
λ 0.12 W/m×K 355.39 Experim...
λ 0.12 W/m×K 362.16 Experim...

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 Yaw... 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 Vap... 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. Heptadecanoic acid, methyl ester. Eicosanoic acid, methyl ester. Pentacosanoic acid, methyl ester. Tridecanoic acid, methyl ester. Nonanoic acid, methyl ester. Nonadecanoic acid, methyl ester. Heneicosanoic acid, methyl ester. Triacontanoic acid, methyl ester. Dodecanoic acid, methyl ester. Methyl tetradecanoate. Heptacosanoic acid, methyl ester. Methyl stearate. Docosanoic acid, methyl ester.

Find more compounds similar to Methyl valerate.

Mixtures

Sources

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