Chemical Properties of Pentanoic acid, ethyl ester (CAS 539-82-2)

Pentanoic acid, ethyl ester

InChI
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChI Key
ICMAFTSLXCXHRK-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCC(=O)OCC
Molecular Weight1
130.18
CAS
539-82-2
Other Names
  • ETHYL ESTER VALERIC ACID
  • ETHYL N-VALERATE
  • ETHYL PENTANOATE
  • Ethyl valerate
  • Pentyl propanoate
  • Valeric acid, ethyl ester
  • n-Valeric acid ethyl ester
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Physical Properties

Property Value Unit Source
ω 0.4805 Relay (1.0) Calculated Property
Δcliquid [-4202.40; -4201.60] kJ/mol Show Hide
Δcliquid -4201.60 ± 2.50 kJ/mol NIST
Δcliquid -4202.40 ± 2.50 kJ/mol NIST
Δf -225.86 kJ/mol Joback Calculated Property
Δfgas [-507.70; -507.00] kJ/mol Show Hide
Δfgas -507.00 ± 2.00 kJ/mol NIST
Δfgas -507.70 kJ/mol NIST
Δfgas -507.00 ± 3.00 kJ/mol NIST
Δfliquid [-554.10; -553.10] kJ/mol Show Hide
Δfliquid -554.10 ± 0.80 kJ/mol NIST
Δfliquid -553.80 ± 2.50 kJ/mol NIST
Δfliquid -553.10 ± 8.40 kJ/mol NIST
Δfus 16.67 kJ/mol Joback Calculated Property
Δvap [46.00; 47.10] kJ/mol Show Hide
Δvap 47.00 ± 1.00 kJ/mol NIST
Δvap 47.10 kJ/mol NIST
Δvap 47.01 ± 0.10 kJ/mol NIST
Δvap 46.00 ± 1.00 kJ/mol NIST
Δvap 46.10 kJ/mol NIST
IE 9.86 eV Relay (1.0) Calculated Property
log10WS [-2.25; -1.75]   Show Hide
log10WS -1.75 Aq. Solubility Prediction
log10WS -2.25 Estimated Solubility
logPoct/wat 1.740 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
Pc 2730.40 kPa Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
Inp [871.00; 929.00]   Show Hide
Inp 883.00 NIST
Inp 896.00 NIST
Inp 913.00 NIST
Inp 882.00 NIST
Inp 876.00 NIST
Inp 876.00 NIST
Inp 878.00 NIST
Inp 879.00 NIST
Inp 871.00 NIST
Inp 888.00 NIST
Inp 881.00 NIST
Inp 888.00 NIST
Inp 887.00 NIST
Inp 887.00 NIST
Inp 888.00 NIST
Inp 882.00 NIST
Inp 900.00 NIST
Inp 876.00 NIST
Inp 902.00 NIST
Inp 898.00 NIST
Inp 902.00 NIST
Inp 904.00 NIST
Inp Outlier 929.00 NIST
Inp 901.00 NIST
Inp 898.00 NIST
Inp 901.00 NIST
Inp 881.00 NIST
Inp 881.00 NIST
Inp 893.00 NIST
Inp 884.00 NIST
Inp 871.00 NIST
Inp 871.00 NIST
Inp 871.00 NIST
Inp 904.00 NIST
Inp 907.00 NIST
Inp 903.00 NIST
Inp 900.00 NIST
Inp 898.00 NIST
Inp 900.00 NIST
Inp 901.00 NIST
Inp 893.00 NIST
Inp 900.00 NIST
Inp 875.00 NIST
Inp 905.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 904.00 NIST
Inp 898.00 NIST
Inp 915.00 NIST
Inp 900.00 NIST
Inp 898.00 NIST
Inp 905.00 NIST
Inp 884.00 NIST
Inp 908.00 NIST
Inp 900.00 NIST
Inp 882.00 NIST
Inp 884.00 NIST
Inp 884.00 NIST
Inp 888.00 NIST
Inp 888.00 NIST
Inp 898.00 NIST
Inp 902.00 NIST
Inp Outlier 919.00 NIST
Inp 904.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 876.00 NIST
Inp 900.00 NIST
Inp 887.00 NIST
Inp 900.00 NIST
Inp 876.00 NIST
Inp 884.00 NIST
Inp 902.00 NIST
Inp 885.00 NIST
Inp 880.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 884.00 NIST
Inp 893.00 NIST
Inp 900.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 884.00 NIST
Inp 898.00 NIST
Inp 880.00 NIST
I [1113.00; 1170.00]   Show Hide
I 1125.00 NIST
I Outlier 1159.00 NIST
I 1113.00 NIST
I 1131.00 NIST
I Outlier 1162.00 NIST
I 1130.00 NIST
I 1140.00 NIST
I 1142.00 NIST
I 1140.00 NIST
I 1134.00 NIST
I 1139.00 NIST
I 1138.00 NIST
I 1125.00 NIST
I 1146.00 NIST
I 1134.00 NIST
I 1137.00 NIST
I 1127.00 NIST
I 1125.00 NIST
I 1131.00 NIST
I 1124.00 NIST
I 1125.00 NIST
I 1139.00 NIST
I 1139.00 NIST
I 1131.00 NIST
I Outlier 1160.00 NIST
I 1120.00 NIST
I 1129.00 NIST
I 1138.00 NIST
I 1133.00 NIST
I 1139.00 NIST
I Outlier 1161.00 NIST
I 1122.00 NIST
I 1133.00 NIST
I 1140.00 NIST
I 1142.00 NIST
I 1136.00 NIST
I 1128.00 NIST
I 1128.00 NIST
I 1133.00 NIST
I 1148.00 NIST
I 1116.00 NIST
I 1145.00 NIST
I Outlier 1170.00 NIST
I 1135.00 NIST
I 1158.00 NIST
I 1147.00 NIST
I 1141.00 NIST
I 1141.00 NIST
I 1124.00 NIST
I 1138.00 NIST
I 1131.00 NIST
I 1132.00 NIST
I 1127.00 NIST
I 1122.00 NIST
I 1145.00 NIST
I 1118.00 NIST
I 1136.00 NIST
I 1124.00 NIST
I 1140.00 NIST
I 1142.00 NIST
I 1120.00 NIST
I 1127.00 NIST
I 1149.00 NIST
I 1124.00 NIST
I 1127.00 NIST
I 1124.00 NIST
I 1149.00 NIST
I 1134.00 NIST
I Outlier 1160.00 NIST
I 1138.00 NIST
I 1133.00 NIST
I 1125.00 NIST
I 1130.00 NIST
Tboil [407.00; 419.30] K Show Hide
Tboil 419.20 K KDB
Tboil 419.30 K Ternary phase diagrams for aqueous mixtures of butyric acid with several solvents: experimental and correlated data
Tboil 417.70 K NIST
Tboil 417.20 ± 0.40 K NIST
Tboil 418.60 ± 0.25 K NIST
Tboil 408.15 ± 1.50 K NIST
Tboil 417.70 ± 1.00 K NIST
Tboil 417.00 ± 5.00 K NIST
Tboil 417.90 ± 2.00 K NIST
Tboil Outlier 407.00 ± 2.00 K NIST
Tc [570.00; 593.30] K Show Hide
Tc 570.00 K KDB
Tc 593.30 ± 1.00 K NIST
Tc 570.20 ± 20.00 K NIST
Tfus [181.90; 182.05] K Show Hide
Tfus 181.90 K KDB
Tfus 182.05 K Aq. Solubility Prediction
Vc 0.449 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [238.65; 299.73] J/mol×K [435.85; 612.24] Show Hide
Cp,gas 238.65 J/mol×K 435.85 Joback Calculated Property
Cp,gas 249.76 J/mol×K 465.25 Joback Calculated Property
Cp,gas 260.50 J/mol×K 494.65 Joback Calculated Property
Cp,gas 270.86 J/mol×K 524.04 Joback Calculated Property
Cp,gas 280.85 J/mol×K 553.44 Joback Calculated Property
Cp,gas 290.48 J/mol×K 582.84 Joback Calculated Property
Cp,gas 299.73 J/mol×K 612.24 Joback Calculated Property
η [0.0002656; 0.0031909] Pa×s [240.81; 435.85] Show Hide
η 0.0031909 Pa×s 240.81 Joback Calculated Property
η 0.0016480 Pa×s 273.32 Joback Calculated Property
η 0.0009795 Pa×s 305.82 Joback Calculated Property
η 0.0006434 Pa×s 338.33 Joback Calculated Property
η 0.0004549 Pa×s 370.84 Joback Calculated Property
η 0.0003401 Pa×s 403.34 Joback Calculated Property
η 0.0002656 Pa×s 435.85 Joback Calculated Property
ΔvapH 38.00 kJ/mol 293.00 NIST
n0 [1.39800; 1.39810]   [298.15; 298.15] Show Hide
n0 1.39800 298.15 Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) I: HE and V E for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1-x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 5, a = 1 and v = x = 2 to 6
n0 1.39810 298.15 Correlation and prediction of mixing thermodynamic properties of ester-containing systems: Ester + alkane and ester + ester binary systems and the ternary dodecane + ethyl pentanoate + ethyl ethanoate
ρl [872.36; 877.15] kg/m3 [293.20; 298.20] Show Hide
ρl 877.15 kg/m3 293.20 Modeling extraction equilibria of butyric acid distributed between water and tri-n-butyl amine/diluent or tri-n-butyl phosphate/diluent system: Extension of the LSER approach
ρl 872.36 kg/m3 298.20 Modeling phase equilibria of ternary systems (water + formic acid + ester or alcohol) through UNIFAC-original, SERLAS, NRTL, NRTL-modified, and three-suffix Margules: Parameter estimation using genetic algorithm
λ [0.12; 0.15] W/m×K [249.21; 363.57] Show Hide
λ 0.15 W/m×K 249.21 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.15 W/m×K 263.90 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 273.50 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 283.80 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 288.74 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 289.42 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 293.69 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.14 W/m×K 298.79 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 303.69 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 308.61 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 313.74 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 318.49 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 323.74 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 328.62 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.13 W/m×K 333.51 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 338.47 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 343.55 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 348.55 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 353.49 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 358.46 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λ 0.12 W/m×K 363.57 Measurement of the thermal conductivity of five aliphatic esters in the liquid phase

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [345.40; 414.90] K [7.10; 91.70] Show Hide
Tboil 345.40 K 7.10 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 350.70 K 8.90 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 361.10 K 13.90 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 374.90 K 24.10 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 388.30 K 39.10 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 395.70 K 52.70 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 403.90 K 69.30 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state
Tboil 414.90 K 91.70 Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state

Datasets

Mass density, kg/m3

Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Mass density, kg/m3 - Liquid
100.00 298.15 870.7
100.00 303.15 865.5
100.00 308.15 860.3
100.00 313.15 855.0
100.00 318.15 849.8
100.00 323.15 844.4
100.00 328.15 839.1
100.00 333.15 833.7
100.00 338.15 828.4
100.00 343.15 823.0
100.00 348.15 817.7
100.00 353.15 812.2
100.00 363.15 801.2
100.00 373.15 790.7
100.00 383.15 779.9
100.00 393.15 769.0
1000.00 298.15 871.5
1000.00 303.15 866.4
1000.00 308.15 861.2
1000.00 313.15 855.9
1000.00 318.15 850.6
1000.00 323.15 845.3
1000.00 328.15 840.0
1000.00 333.15 834.7
1000.00 338.15 829.5
1000.00 343.15 824.1
1000.00 348.15 818.7
1000.00 353.15 813.3
1000.00 363.15 802.5
1000.00 373.15 792.0
1000.00 383.15 781.3
1000.00 393.15 770.5
2000.00 298.15 872.4
2000.00 303.15 867.4
2000.00 308.15 862.1
2000.00 313.15 856.9
2000.00 318.15 851.7
2000.00 323.15 846.4
2000.00 328.15 841.1
2000.00 333.15 836.0
2000.00 338.15 830.7
2000.00 343.15 825.3
2000.00 348.15 820.0
2000.00 353.15 814.6
2000.00 363.15 803.9
2000.00 373.15 793.5
2000.00 383.15 783.0
2000.00 393.15 772.3
2780.00 298.15 873.0
2780.00 303.15 868.1
2780.00 308.15 862.9
2780.00 313.15 857.7
2780.00 318.15 852.4
2780.00 323.15 847.2
2780.00 328.15 842.0
2780.00 333.15 836.9
2780.00 338.15 831.5
2780.00 343.15 826.2
2780.00 348.15 821.0
2780.00 353.15 815.6
2780.00 363.15 805.0
2780.00 373.15 794.7
2780.00 383.15 784.2
2780.00 393.15 773.6
3000.00 298.15 873.2
3000.00 303.15 868.3
3000.00 308.15 863.1
3000.00 313.15 857.9
3000.00 318.15 852.7
3000.00 323.15 847.4
3000.00 328.15 842.3
3000.00 333.15 837.1
3000.00 338.15 831.8
3000.00 343.15 826.5
3000.00 348.15 821.3
3000.00 353.15 815.9
3000.00 363.15 805.5
3000.00 373.15 795.0
3000.00 383.15 784.5
3000.00 393.15 774.1
5000.00 298.15 875.1
5000.00 303.15 870.1
5000.00 308.15 865.0
5000.00 313.15 859.9
5000.00 318.15 854.6
5000.00 323.15 849.4
5000.00 328.15 844.4
5000.00 333.15 839.3
5000.00 338.15 834.0
5000.00 343.15 828.8
5000.00 348.15 823.7
5000.00 353.15 818.4
5000.00 363.15 808.1
5000.00 373.15 797.9
5000.00 383.15 787.6
5000.00 393.15 777.4
10000.00 298.15 879.4
10000.00 303.15 874.5
10000.00 308.15 869.5
10000.00 313.15 864.5
10000.00 318.15 859.4
10000.00 323.15 854.3
10000.00 328.15 849.4
10000.00 333.15 844.5
10000.00 338.15 839.4
10000.00 343.15 834.4
10000.00 348.15 829.4
10000.00 353.15 824.3
10000.00 363.15 814.6
10000.00 373.15 804.8
10000.00 383.15 795.0
10000.00 393.15 785.1
15000.00 298.15 883.4
15000.00 303.15 878.7
15000.00 308.15 873.8
15000.00 313.15 868.9
15000.00 318.15 863.9
15000.00 323.15 859.0
15000.00 328.15 854.2
15000.00 333.15 849.5
15000.00 338.15 844.5
15000.00 343.15 839.6
15000.00 348.15 834.8
15000.00 353.15 829.9
15000.00 363.15 820.5
15000.00 373.15 810.9
15000.00 383.15 801.5
15000.00 393.15 791.6
20000.00 298.15 887.3
20000.00 303.15 882.6
20000.00 308.15 877.8
20000.00 313.15 873.0
20000.00 318.15 868.2
20000.00 323.15 863.4
20000.00 328.15 858.7
20000.00 333.15 854.1
20000.00 338.15 849.3
20000.00 343.15 844.5
20000.00 348.15 839.9
20000.00 353.15 835.1
20000.00 363.15 826.0
20000.00 373.15 816.7
20000.00 383.15 807.6
20000.00 393.15 797.7
25000.00 298.15 891.0
25000.00 303.15 886.5
25000.00 308.15 881.8
25000.00 313.15 877.0
25000.00 318.15 872.3
25000.00 323.15 867.6
25000.00 328.15 863.0
25000.00 333.15 858.6
25000.00 338.15 853.9
25000.00 343.15 849.2
25000.00 348.15 844.7
25000.00 353.15 840.0
25000.00 363.15 831.2
25000.00 373.15 822.2
25000.00 383.15 813.4
25000.00 393.15 803.5
30000.00 298.15 894.6
30000.00 303.15 890.2
30000.00 308.15 885.6
30000.00 313.15 880.9
30000.00 318.15 876.3
30000.00 323.15 871.7
30000.00 328.15 867.1
30000.00 333.15 862.9
30000.00 338.15 858.2
30000.00 343.15 853.7
30000.00 348.15 849.3
30000.00 353.15 844.7
30000.00 363.15 836.0
30000.00 373.15 827.3
30000.00 383.15 818.9
30000.00 393.15 809.0
35000.00 298.15 898.1
35000.00 303.15 893.8
35000.00 308.15 889.2
35000.00 313.15 884.6
35000.00 318.15 880.1
35000.00 323.15 875.5
35000.00 328.15 871.1
35000.00 333.15 867.0
35000.00 338.15 862.4
35000.00 343.15 858.0
35000.00 348.15 853.6
35000.00 353.15 849.1
35000.00 363.15 840.8
35000.00 373.15 832.3
35000.00 383.15 824.0
35000.00 393.15 814.0
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [312.40; 439.62] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53691e+01
Coefficient B-3.84124e+03
Coefficient C-5.77010e+01
Temperature range, min.312.40
Temperature range, max.439.62
Pvap 1.33 kPa 312.40 Calculated Property
Pvap 2.95 kPa 326.54 Calculated Property
Pvap 6.02 kPa 340.67 Calculated Property
Pvap 11.48 kPa 354.81 Calculated Property
Pvap 20.64 kPa 368.94 Calculated Property
Pvap 35.29 kPa 383.08 Calculated Property
Pvap 57.69 kPa 397.21 Calculated Property
Pvap 90.68 kPa 411.35 Calculated Property
Pvap 137.66 kPa 425.48 Calculated Property
Pvap 202.63 kPa 439.62 Calculated Property
Pvap [4.54; 179.54] kPa [328.15; 430.15] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A4.34447e+02
Coefficient B-2.34143e+04
Coefficient C-6.33502e+01
Coefficient D5.04777e-05
Temperature range, min.328.15
Temperature range, max.430.15
Pvap 4.54 kPa 328.15 Calculated Property
Pvap 8.38 kPa 339.48 Calculated Property
Pvap 14.42 kPa 350.82 Calculated Property
Pvap 23.36 kPa 362.15 Calculated Property
Pvap 35.94 kPa 373.48 Calculated Property
Pvap 52.89 kPa 384.82 Calculated Property
Pvap 74.95 kPa 396.15 Calculated Property
Pvap 102.88 kPa 407.48 Calculated Property
Pvap 137.45 kPa 418.82 Calculated Property
Pvap 179.54 kPa 430.15 Calculated Property

Similar Compounds

ethyl pentanoate-d2. Hexanoic acid, ethyl ester. ethyl hexanoate-d11. Diethyl adipate. Heptanoic acid, ethyl ester. Octanoic acid, ethyl ester. ethyl nonacosanoate. ethyl dotriacontanoate. Decanoic acid, ethyl ester. Heptadecanoic acid, ethyl ester. Ethyl tetracosanoate. ethyl tricosanoate. Nonanoic acid, ethyl ester. Dodecanoic acid, ethyl ester. ethyl hentriacontanoate.

Find more compounds similar to Pentanoic acid, ethyl ester.

Mixtures

Find more mixtures with Pentanoic acid, ethyl ester.

Sources

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