Chemical Properties of Pentanoic acid, 4-oxo-, methyl ester (CAS 624-45-3)

Pentanoic acid, 4-oxo-, methyl ester

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InChI
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChI Key
UAGJVSRUFNSIHR-UHFFFAOYSA-N
Formula
C6H10O3
SMILES
COC(=O)CCC(C)=O
Molecular Weight1
130.14
CAS
624-45-3
Other Names
  • 4-Oxo-pentanoic acid methyl ester
  • 4-Oxo-pentanoic acid methyl ester (methyl levulinate)
  • Levulinic acid, methyl ester
  • Methyl ester of 4-Oxopentanoic acid
  • methyl 4-oxopentanoate
  • methyl 4-oxovalerate
  • methyl levulate
  • methyl levulinate
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Physical Properties

Property Value Unit Source
Δf -363.20 kJ/mol Joback Calculated Property
Δfgas -524.55 kJ/mol Joback Calculated Property
Δfus 15.68 kJ/mol Joback Calculated Property
Δvap 44.85 kJ/mol Joback Calculated Property
log10WS -0.48 Crippen Calculated Property
logPoct/wat 0.529 Crippen Calculated Property
McVol 104.410 ml/mol McGowan Calculated Property
Pc 3522.09 kPa Joback Calculated Property
Inp [946.00; 1002.00]   Show Hide
Inp 981.00 NIST
Inp 1002.00 NIST
Inp 946.00 NIST
Inp 948.00 NIST
Inp 956.00 NIST
Inp 946.00 NIST
Inp 956.00 NIST
Inp 981.00 NIST
I [1534.00; 1560.00]   Show Hide
I 1560.00 NIST
I 1534.00 NIST
I 1534.00 NIST
I 1560.00 NIST
Tboil 469.20 K NIST
Tc 655.65 K Joback Calculated Property
Tfus 279.47 K Joback Calculated Property
Vc 0.402 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [215.00; 265.88] J/mol×K [466.84; 655.65] Show Hide
Cp,gas 215.00 J/mol×K 466.84 Joback Calculated Property
Cp,gas 224.34 J/mol×K 498.31 Joback Calculated Property
Cp,gas 233.35 J/mol×K 529.78 Joback Calculated Property
Cp,gas 242.00 J/mol×K 561.25 Joback Calculated Property
Cp,gas 250.31 J/mol×K 592.71 Joback Calculated Property
Cp,gas 258.27 J/mol×K 624.18 Joback Calculated Property
Cp,gas 265.88 J/mol×K 655.65 Joback Calculated Property
η [0.0003147; 0.0026736] Pa×s [279.47; 466.84] Show Hide
η 0.0026736 Pa×s 279.47 Joback Calculated Property
η 0.0015646 Pa×s 310.70 Joback Calculated Property
η 0.0010097 Pa×s 341.93 Joback Calculated Property
η 0.0007012 Pa×s 373.16 Joback Calculated Property
η 0.0005151 Pa×s 404.38 Joback Calculated Property
η 0.0003956 Pa×s 435.61 Joback Calculated Property
η 0.0003147 Pa×s 466.84 Joback Calculated Property
ΔvapH [50.40; 51.10] kJ/mol [391.50; 410.00] Show Hide
ΔvapH 50.40 kJ/mol 391.50 NIST
ΔvapH 51.10 kJ/mol 410.00 NIST
Pvap [0.03; 1.47] kPa [293.50; 353.20] Show Hide
Pvap 0.03 kPa 293.50 Renewab...
Pvap 0.04 kPa 298.50 Renewab...
Pvap 0.06 kPa 303.30 Renewab...
Pvap 0.09 kPa 308.50 Renewab...
Pvap 0.14 kPa 313.40 Renewab...
Pvap 0.18 kPa 318.30 Renewab...
Pvap 0.26 kPa 323.20 Renewab...
Pvap 0.36 kPa 328.20 Renewab...
Pvap 0.50 kPa 333.20 Renewab...
Pvap 0.66 kPa 338.20 Renewab...
Pvap 0.88 kPa 343.10 Renewab...
Pvap 1.14 kPa 348.20 Renewab...
Pvap 1.47 kPa 353.20 Renewab...
ρl 1045.40 kg/m3 298.15 Self-ag...

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
278.15 101.00 1065.229
280.65 101.00 1062.751
283.15 101.00 1060.272
285.65 101.00 1057.79
288.15 101.00 1055.311
290.65 101.00 1052.833
293.15 101.00 1050.353
295.65 101.00 1047.876
298.15 101.00 1045.396
300.65 101.00 1042.916
303.15 101.00 1040.435
305.65 101.00 1037.953
308.15 101.00 1035.47
310.65 101.00 1032.987
313.15 101.00 1030.502
315.65 101.00 1028.015
318.15 101.00 1025.528
320.65 101.00 1023.039
323.15 101.00 1020.547
325.65 101.00 1018.054
328.15 101.00 1015.557
330.65 101.00 1013.06
333.15 101.00 1010.561
335.65 101.00 1008.058
338.15 101.00 1005.552
283.15 100.00 1060.29
288.15 100.00 1055.31
293.15 100.00 1050.3
298.15 100.00 1045.38
303.15 100.00 1040.44
308.15 100.00 1035.54
313.15 100.00 1030.55
318.15 100.00 1025.58
323.15 100.00 1020.49
328.15 100.00 1015.61
333.15 100.00 1010.56
338.15 100.00 1005.52
283.15 2500.00 1062.16
288.15 2500.00 1057.25
293.15 2500.00 1052.33
298.15 2500.00 1047.36
303.15 2500.00 1042.52
308.15 2500.00 1037.62
313.15 2500.00 1032.72
318.15 2500.00 1027.81
323.15 2500.00 1022.88
328.15 2500.00 1017.91
333.15 2500.00 1012.95
338.15 2500.00 1007.98
283.15 5000.00 1063.68
288.15 5000.00 1058.78
293.15 5000.00 1053.92
298.15 5000.00 1049.14
303.15 5000.00 1044.34
308.15 5000.00 1039.43
313.15 5000.00 1034.49
318.15 5000.00 1029.63
323.15 5000.00 1024.69
328.15 5000.00 1019.85
333.15 5000.00 1014.89
338.15 5000.00 1009.95
283.15 7500.00 1065.19
288.15 7500.00 1060.35
293.15 7500.00 1055.56
298.15 7500.00 1050.79
303.15 7500.00 1045.93
308.15 7500.00 1041.06
313.15 7500.00 1036.23
318.15 7500.00 1031.41
323.15 7500.00 1026.57
328.15 7500.00 1021.73
333.15 7500.00 1016.89
338.15 7500.00 1012.01
283.15 10000.00 1066.72
288.15 10000.00 1061.84
293.15 10000.00 1057.05
298.15 10000.00 1052.35
303.15 10000.00 1047.54
308.15 10000.00 1042.78
313.15 10000.00 1037.95
318.15 10000.00 1033.21
323.15 10000.00 1028.34
328.15 10000.00 1023.55
333.15 10000.00 1018.69
338.15 10000.00 1013.94
283.15 20000.00 1072.35
288.15 20000.00 1067.71
293.15 20000.00 1063.03
298.15 20000.00 1058.57
303.15 20000.00 1053.84
308.15 20000.00 1049.29
313.15 20000.00 1044.5
318.15 20000.00 1039.93
323.15 20000.00 1035.2
328.15 20000.00 1030.73
333.15 20000.00 1025.95
338.15 20000.00 1021.4
283.15 30000.00 1077.77
288.15 30000.00 1073.2
293.15 30000.00 1068.66
298.15 30000.00 1064.4
303.15 30000.00 1059.68
308.15 30000.00 1055.2
313.15 30000.00 1050.69
318.15 30000.00 1046.25
323.15 30000.00 1041.67
328.15 30000.00 1037.3
333.15 30000.00 1032.71
338.15 30000.00 1028.29
283.15 40000.00 1082.9
288.15 40000.00 1078.45
293.15 40000.00 1073.99
298.15 40000.00 1069.98
303.15 40000.00 1065.23
308.15 40000.00 1060.99
313.15 40000.00 1056.5
318.15 40000.00 1052.2
323.15 40000.00 1047.68
328.15 40000.00 1043.5
333.15 40000.00 1039.01
338.15 40000.00 1034.77
283.15 50000.00 1087.68
288.15 50000.00 1083.39
293.15 50000.00 1079.05
298.15 50000.00 1075.16
303.15 50000.00 1070.58
308.15 50000.00 1066.36
313.15 50000.00 1061.97
318.15 50000.00 1057.79
323.15 50000.00 1053.46
328.15 50000.00 1049.36
333.15 50000.00 1044.91
338.15 50000.00 1040.88
283.15 60000.00 1092.28
288.15 60000.00 1088.19
293.15 60000.00 1083.84
298.15 60000.00 1079.87
303.15 60000.00 1075.6
308.15 60000.00 1071.57
313.15 60000.00 1067.19
318.15 60000.00 1063.14
323.15 60000.00 1058.87
328.15 60000.00 1054.88
333.15 60000.00 1050.58
338.15 60000.00 1046.63
Reference

Similar Compounds

Hexanoic acid, 4-oxo-, methyl ester. Pentanoic acid, 4-oxo-, ethyl ester. Methyl 4-oxooctanaoate. Pentanoic acid, 4-oxo-, propyl ester. Diethyl 4-oxopimelate. Pentanoic acid, 4-oxo-, 1-methylethyl ester. Dimethyl 3-oxoadipate. Decanoic acid, 9-oxo-, methyl ester. Undecanoic acid, 10-oxo-, methyl ester. Hexanoic acid, 5-oxo-, methyl ester. Allyl levulinate. Octadecanoic acid, 12-oxo-, methyl ester. Levulinic acid, butyl ester. Pentanoic acid, 4-oxo-, butyl ester. Methyl valerate.

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

Mixtures

Sources

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