Chemical Properties of Thiophene, 3-methyl- (CAS 616-44-4)

Thiophene, 3-methyl-

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InChI
InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
InChI Key
QENGPZGAWFQWCZ-UHFFFAOYSA-N
Formula
C5H6S
SMILES
Cc1ccsc1
Molecular Weight1
98.17
CAS
616-44-4
Other Names
  • .beta.-methylthiophene
  • 3-Methylthiophene
  • 3-THIOTOLENE
  • Methyl-3-thiophene
  • «beta»-Methylthiophene
  • «beta»-Methylthiophene
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Physical Properties

Property Value Unit Source
Δcliquid -3470.40 ± 0.71 kJ/mol NIST
Δfgas 82.59 ± 0.92 kJ/mol NIST
Δfliquid 43.05 ± 0.88 kJ/mol NIST
Δvap [39.46; 39.50] kJ/mol Show Hide
Δvap 39.46 kJ/mol NIST
Δvap 39.50 kJ/mol NIST
Δvap 39.50 kJ/mol NIST
IE [8.40; 8.84] eV Show Hide
IE 8.84 eV NIST
IE 8.72 eV NIST
IE 8.40 eV NIST
IE 8.70 eV NIST
log10WS -2.39 Aq. Sol...
logPoct/wat 2.057 Crippen Calculated Property
McVol 78.200 ml/mol McGowan Calculated Property
Pc 4788.00 kPa KDB
Inp [755.00; 811.00]   Show Hide
Inp 776.00 NIST
Inp 775.00 NIST
Inp 775.00 NIST
Inp 807.00 NIST
Inp 807.00 NIST
Inp 786.00 NIST
Inp 755.00 NIST
Inp 763.00 NIST
Inp 805.00 NIST
Inp 805.00 NIST
Inp 774.00 NIST
Inp 770.00 NIST
Inp 783.00 NIST
Inp 783.00 NIST
Inp 760.00 NIST
Inp 768.00 NIST
Inp 775.00 NIST
Inp 759.00 NIST
Inp 782.00 NIST
Inp 794.00 NIST
Inp 795.00 NIST
Inp 784.00 NIST
Inp 779.00 NIST
Inp 760.00 NIST
Inp 756.00 NIST
Inp 759.00 NIST
Inp 788.00 NIST
Inp 779.00 NIST
Inp Outlier 811.00 NIST
Inp 790.00 NIST
Inp 786.00 NIST
Inp 756.00 NIST
Inp 757.00 NIST
Inp 756.00 NIST
Inp 757.00 NIST
Inp 786.00 NIST
Inp 788.00 NIST
Inp 794.00 NIST
Inp 767.00 NIST
Inp 780.00 NIST
Inp 772.00 NIST
Inp 759.00 NIST
Inp 773.00 NIST
Inp 776.00 NIST
Inp 782.00 NIST
I [1078.00; 1136.00]   Show Hide
I 1136.00 NIST
I 1106.00 NIST
I 1115.00 NIST
I Outlier 1078.00 NIST
I 1099.00 NIST
I 1114.00 NIST
I 1124.00 NIST
I 1121.00 NIST
I 1117.00 NIST
I 1130.00 NIST
I 1120.00 NIST
I 1101.00 NIST
I 1127.00 NIST
I 1110.00 NIST
I 1127.00 NIST
I 1130.00 NIST
I 1123.00 NIST
I 1120.00 NIST
I 1123.00 NIST
I 1127.00 NIST
I 1123.00 NIST
I 1127.00 NIST
I 1120.00 NIST
I 1120.00 NIST
I 1115.00 NIST
I 1121.00 NIST
I 1101.00 NIST
I 1123.00 NIST
I 1127.00 NIST
I 1136.00 NIST
Tboil [388.35; 388.60] K Show Hide
Tboil 388.60 K KDB
Tboil 388.35 K Isobari...
Tboil 388.35 K Isobari...
Tboil 388.60 K NIST
Tboil 388.60 K NIST
Tboil 388.60 ± 0.30 K NIST
Tc [610.80; 610.80] K Show Hide
Tc 610.80 K KDB
Tc 610.80 K NIST
Tfus [204.20; 204.21] K Show Hide
Tfus 204.20 K KDB
Tfus 204.21 ± 0.06 K NIST
Ttriple [204.18; 204.19] K Show Hide
Ttriple 204.18 K KDB
Ttriple 204.19 ± 0.02 K NIST
Vc 0.275 m3/kmol KDB
Zc 0.2590810 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [10.54; 10.54] kJ/mol [204.20; 204.20] Show Hide
ΔfusH 10.54 kJ/mol 204.20 NIST
ΔfusH 10.54 kJ/mol 204.20 NIST
ΔvapH [34.24; 39.50] kJ/mol [329.00; 388.60] Show Hide
ΔvapH 39.50 kJ/mol 329.00 NIST
ΔvapH 37.40 kJ/mol 353.00 NIST
ΔvapH 37.30 kJ/mol 360.50 NIST
ΔvapH 36.80 kJ/mol 362.00 NIST
ΔvapH 37.50 kJ/mol 363.00 NIST
ΔvapH 34.24 kJ/mol 388.60 NIST
ΔvapH 34.25 kJ/mol 388.60 KDB
n0 [1.51720; 1.51720]   [298.15; 298.15] Show Hide
n0 1.51720 298.15 Phase e...
n0 1.51720 298.15 Phase e...
ρl 1020.89 kg/m3 293.10 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 387.20 K 98.40 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
283.15 100.00 1031.82
288.15 100.00 1026.57
293.15 100.00 1021.31
298.15 100.00 1016.0
303.15 100.00 1010.72
308.15 100.00 1005.4
313.15 100.00 1000.05
318.15 100.00 994.7
323.15 100.00 989.3
328.15 100.00 983.88
333.15 100.00 978.47
338.15 100.00 972.98
283.15 2000.00 1033.26
288.15 2000.00 1028.05
293.15 2000.00 1022.81
298.15 2000.00 1017.57
303.15 2000.00 1012.32
308.15 2000.00 1007.04
313.15 2000.00 1001.76
318.15 2000.00 996.44
323.15 2000.00 991.1
328.15 2000.00 985.74
333.15 2000.00 980.39
338.15 2000.00 974.96
283.15 5000.00 1035.47
288.15 5000.00 1030.34
293.15 5000.00 1025.16
298.15 5000.00 1019.98
303.15 5000.00 1014.81
308.15 5000.00 1009.61
313.15 5000.00 1004.39
318.15 5000.00 999.15
323.15 5000.00 993.9
328.15 5000.00 988.63
333.15 5000.00 983.35
338.15 5000.00 978.01
283.15 7000.00 1036.93
288.15 7000.00 1031.84
293.15 7000.00 1026.7
298.15 7000.00 1021.56
303.15 7000.00 1016.43
308.15 7000.00 1011.27
313.15 7000.00 1006.11
318.15 7000.00 1000.93
323.15 7000.00 995.72
328.15 7000.00 990.51
333.15 7000.00 985.3
338.15 7000.00 980.02
283.15 10000.00 1039.07
288.15 10000.00 1034.03
293.15 10000.00 1028.95
298.15 10000.00 1023.89
303.15 10000.00 1018.83
308.15 10000.00 1013.72
313.15 10000.00 1008.64
318.15 10000.00 1003.52
323.15 10000.00 998.41
328.15 10000.00 993.26
333.15 10000.00 988.13
338.15 10000.00 982.95
283.15 15000.00 1042.56
288.15 15000.00 1037.61
293.15 15000.00 1032.61
298.15 15000.00 1027.64
303.15 15000.00 1022.7
308.15 15000.00 1017.69
313.15 15000.00 1012.71
318.15 15000.00 1007.7
323.15 15000.00 1002.71
328.15 15000.00 997.7
333.15 15000.00 992.67
338.15 15000.00 987.63
283.15 20000.00 1045.93
288.15 20000.00 1041.07
293.15 20000.00 1036.16
298.15 20000.00 1031.29
303.15 20000.00 1026.42
308.15 20000.00 1021.53
313.15 20000.00 1016.63
318.15 20000.00 1011.74
323.15 20000.00 1006.85
328.15 20000.00 1001.93
333.15 20000.00 997.03
338.15 20000.00 992.12
283.15 25000.00 1049.2
288.15 25000.00 1044.41
293.15 25000.00 1039.6
298.15 25000.00 1034.81
303.15 25000.00 1030.01
308.15 25000.00 1025.22
313.15 25000.00 1020.43
318.15 25000.00 1015.6
323.15 25000.00 1010.83
328.15 25000.00 1006.0
333.15 25000.00 1001.22
338.15 25000.00 996.41
283.15 30000.00 1052.37
288.15 30000.00 1047.65
293.15 30000.00 1042.92
298.15 30000.00 1038.2
303.15 30000.00 1033.5
308.15 30000.00 1028.73
313.15 30000.00 1024.08
318.15 30000.00 1019.35
323.15 30000.00 1014.66
328.15 30000.00 1009.94
333.15 30000.00 1005.22
338.15 30000.00 1000.53
283.15 35000.00 1055.46
288.15 35000.00 1050.8
293.15 35000.00 1046.15
298.15 35000.00 1041.52
303.15 35000.00 1036.87
308.15 35000.00 1032.24
313.15 35000.00 1027.61
318.15 35000.00 1022.99
323.15 35000.00 1018.35
328.15 35000.00 1013.73
333.15 35000.00 1009.12
338.15 35000.00 1004.49
283.15 40000.00 1058.46
288.15 40000.00 1053.86
293.15 40000.00 1049.27
298.15 40000.00 1044.71
303.15 40000.00 1040.16
308.15 40000.00 1035.59
313.15 40000.00 1031.05
318.15 40000.00 1026.48
323.15 40000.00 1021.93
328.15 40000.00 1017.38
333.15 40000.00 1012.87
338.15 40000.00 1008.33
283.15 45000.00 1061.37
288.15 45000.00 1056.84
293.15 45000.00 1052.31
298.15 45000.00 1047.82
303.15 45000.00 1043.34
308.15 45000.00 1038.84
313.15 45000.00 1034.35
318.15 45000.00 1029.86
323.15 45000.00 1025.4
328.15 45000.00 1020.94
333.15 45000.00 1016.49
338.15 45000.00 1012.04
283.15 50000.00 1064.22
288.15 50000.00 1059.74
293.15 50000.00 1055.28
298.15 50000.00 1050.84
303.15 50000.00 1046.42
308.15 50000.00 1041.98
313.15 50000.00 1037.58
318.15 50000.00 1033.15
323.15 50000.00 1028.76
328.15 50000.00 1024.36
333.15 50000.00 1020.0
338.15 50000.00 1015.62
283.15 55000.00 1066.97
288.15 55000.00 1062.56
293.15 55000.00 1058.15
298.15 55000.00 1053.78
303.15 55000.00 1049.41
308.15 55000.00 1045.05
313.15 55000.00 1040.71
318.15 55000.00 1036.33
323.15 55000.00 1032.03
328.15 55000.00 1027.68
333.15 55000.00 1023.38
338.15 55000.00 1019.08
283.15 60000.00 1069.67
288.15 60000.00 1065.32
293.15 60000.00 1060.96
298.15 60000.00 1056.65
303.15 60000.00 1052.33
308.15 60000.00 1048.03
313.15 60000.00 1043.73
318.15 60000.00 1039.44
323.15 60000.00 1035.18
328.15 60000.00 1030.89
333.15 60000.00 1026.67
338.15 60000.00 1022.44
283.15 65000.00 1072.32
288.15 65000.00 1068.01
293.15 65000.00 1063.7
298.15 65000.00 1059.43
303.15 65000.00 1055.16
308.15 65000.00 1050.91
313.15 65000.00 1046.69
318.15 65000.00 1042.45
323.15 65000.00 1038.24
328.15 65000.00 1034.03
333.15 65000.00 1029.88
338.15 65000.00 1025.7
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [282.44; 414.79] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45884e+01
Coefficient B-3.49514e+03
Coefficient C-3.80360e+01
Temperature range, min.282.44
Temperature range, max.414.79
Pvap 1.33 kPa 282.44 Calculated Property
Pvap 3.00 kPa 297.15 Calculated Property
Pvap 6.20 kPa 311.85 Calculated Property
Pvap 11.87 kPa 326.56 Calculated Property
Pvap 21.37 kPa 341.26 Calculated Property
Pvap 36.42 kPa 355.97 Calculated Property
Pvap 59.21 kPa 370.67 Calculated Property
Pvap 92.38 kPa 385.38 Calculated Property
Pvap 139.02 kPa 400.08 Calculated Property
Pvap 202.63 kPa 414.79 Calculated Property
Pvap [1.34; 4952.72] kPa [284.15; 615.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.19136e+01
Coefficient B-6.97496e+03
Coefficient C-8.40512e+00
Coefficient D5.04996e-06
Temperature range, min.284.15
Temperature range, max.615.00
Pvap 1.34 kPa 284.15 Calculated Property
Pvap 8.95 kPa 320.91 Calculated Property
Pvap 38.08 kPa 357.67 Calculated Property
Pvap 118.46 kPa 394.43 Calculated Property
Pvap 294.84 kPa 431.19 Calculated Property
Pvap 624.18 kPa 467.96 Calculated Property
Pvap 1172.62 kPa 504.72 Calculated Property
Pvap 2015.27 kPa 541.48 Calculated Property
Pvap 3239.61 kPa 578.24 Calculated Property
Pvap 4952.72 kPa 615.00 Calculated Property

Similar Compounds

3-Thenyl bromide. 3-Thiophenecarboxaldehyde. 3-Thiophenemethanol. 3-Thiopheneacetonitrile. Thiophene, 3-ethyl-. Thiophene, 2-bromo-3-methyl-. Thiophene, 3,4-dimethyl-. 3-vinylthiophene. 3-Thiophenecarbonitrile. Thiophene, 2,4-dimethyl-. 3-Methylthiophene-2-carbonitrile. 3-Thiopheneacetic acid. 2-Propanone, 1-(3-thienyl). 3-Thiopheneacetic acid, methyl ester. 3-Thiopheneethanol.

Find more compounds similar to Thiophene, 3-methyl-.

Mixtures

Sources

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