Chemical Properties of Hexane, 1-chloro- (CAS 544-10-5)

Hexane, 1-chloro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
InChI Key
MLRVZFYXUZQSRU-UHFFFAOYSA-N
Formula
C6H13Cl
SMILES
CCCCCCCl
Molecular Weight1
120.62
CAS
544-10-5
Other Names
  • 1-Chlorohexane
  • 1-Hexyl chloride
  • Hexyl chloride
  • N-HEXYL CHLORIDE
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Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
Δf -12.29 kJ/mol Joback Calculated Property
Δfgas -182.91 kJ/mol Joback Calculated Property
Δfus 15.49 kJ/mol Joback Calculated Property
Δvap [42.00; 42.86] kJ/mol Show Hide
Δvap 42.86 kJ/mol NIST
Δvap Outlier 42.00 kJ/mol NIST
Δvap 42.83 kJ/mol NIST
Δvap 42.80 ± 0.10 kJ/mol NIST
Δvap 42.80 ± 0.10 kJ/mol NIST
Δvap 42.82 ± 0.06 kJ/mol NIST
IE [10.28; 10.31] eV Show Hide
IE 10.31 eV NIST
IE 10.28 ± 0.05 eV NIST
log10WS [-3.12; -3.12]   Show Hide
log10WS -3.12 Aq. Sol...
log10WS -3.12 Estimat...
logPoct/wat 2.805 Crippen Calculated Property
McVol 107.640 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
Pc 2982.79 kPa Joback Calculated Property
Inp [833.30; 859.70]   Show Hide
Inp 840.10 NIST
Inp 838.80 NIST
Inp 839.50 NIST
Inp 837.40 NIST
Inp 835.00 NIST
Inp 833.70 NIST
Inp 836.70 NIST
Inp 840.90 NIST
Inp 843.70 NIST
Inp 842.90 NIST
Inp 844.00 NIST
Inp 842.90 NIST
Inp 844.60 NIST
Inp 858.20 NIST
Inp 859.70 NIST
Inp 857.00 NIST
Inp 833.30 NIST
Inp 838.30 NIST
Inp 835.00 NIST
Inp 858.00 NIST
Inp 835.90 NIST
Inp 857.10 NIST
Inp 840.00 NIST
Inp 858.00 NIST
Inp 844.00 NIST
Inp 848.00 NIST
Inp 844.00 NIST
Inp 846.00 NIST
Inp 857.00 NIST
Inp 847.00 NIST
Inp 850.00 NIST
Inp 853.00 NIST
Inp 845.00 NIST
Inp 845.00 NIST
Inp 844.00 NIST
Inp 844.00 NIST
Inp 844.00 NIST
Inp 848.00 NIST
Inp 850.00 NIST
I [1034.00; 1050.00]   Show Hide
I Outlier 1034.00 NIST
I 1041.00 NIST
I 1041.00 NIST
I 1050.00 NIST
I 1047.00 NIST
I 1049.00 NIST
I 1050.00 NIST
I 1050.00 NIST
Tboil [407.45; 408.22] K Show Hide
Tboil 407.45 K KDB
Tboil 407.70 K NIST
Tboil 408.22 ± 0.08 K NIST
Tboil 408.10 K NIST
Tboil 407.45 ± 0.30 K NIST
Tc 594.60 K NIST
Tfus 179.15 ± 1.20 K NIST
Vc 0.420 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [185.96; 242.42] J/mol×K [374.11; 546.35] Show Hide
Cp,gas 185.96 J/mol×K 374.11 Joback Calculated Property
Cp,gas 196.32 J/mol×K 402.82 Joback Calculated Property
Cp,gas 206.29 J/mol×K 431.52 Joback Calculated Property
Cp,gas 215.87 J/mol×K 460.23 Joback Calculated Property
Cp,gas 225.08 J/mol×K 488.94 Joback Calculated Property
Cp,gas 233.93 J/mol×K 517.64 Joback Calculated Property
Cp,gas 242.42 J/mol×K 546.35 Joback Calculated Property
Cp,liquid [202.64; 235.17] J/mol×K [284.15; 373.15] Show Hide
Cp,liquid 212.36 J/mol×K 284.15 Heat Ca...
Cp,liquid 213.23 J/mol×K 286.65 Heat Ca...
Cp,liquid 213.91 J/mol×K 289.15 Heat Ca...
Cp,liquid 214.63 J/mol×K 291.65 Heat Ca...
Cp,liquid 202.64 J/mol×K 293.15 Tempera...
Cp,liquid 215.40 J/mol×K 294.15 Heat Ca...
Cp,liquid 216.12 J/mol×K 296.65 Heat Ca...
Cp,liquid 216.20 J/mol×K 298.15 NIST
Cp,liquid 204.33 J/mol×K 298.15 Tempera...
Cp,liquid 216.95 J/mol×K 299.15 Heat Ca...
Cp,liquid 217.75 J/mol×K 301.65 Heat Ca...
Cp,liquid 205.90 J/mol×K 303.15 Tempera...
Cp,liquid 218.44 J/mol×K 304.15 Heat Ca...
Cp,liquid 219.22 J/mol×K 306.65 Heat Ca...
Cp,liquid 207.47 J/mol×K 308.15 Tempera...
Cp,liquid 219.99 J/mol×K 309.15 Heat Ca...
Cp,liquid 221.00 J/mol×K 311.65 Heat Ca...
Cp,liquid 208.91 J/mol×K 313.15 Tempera...
Cp,liquid 221.78 J/mol×K 314.15 Heat Ca...
Cp,liquid 222.49 J/mol×K 316.65 Heat Ca...
Cp,liquid 210.48 J/mol×K 318.15 Tempera...
Cp,liquid 223.43 J/mol×K 319.15 Heat Ca...
Cp,liquid 224.31 J/mol×K 321.65 Heat Ca...
Cp,liquid 212.05 J/mol×K 323.15 Tempera...
Cp,liquid 224.70 J/mol×K 324.15 Heat Ca...
Cp,liquid 226.02 J/mol×K 326.65 Heat Ca...
Cp,liquid 213.62 J/mol×K 328.15 Tempera...
Cp,liquid 227.13 J/mol×K 329.15 Heat Ca...
Cp,liquid 228.86 J/mol×K 331.65 Heat Ca...
Cp,liquid 215.07 J/mol×K 333.15 Tempera...
Cp,liquid 228.99 J/mol×K 334.15 Heat Ca...
Cp,liquid 229.44 J/mol×K 336.65 Heat Ca...
Cp,liquid 216.63 J/mol×K 338.15 Tempera...
Cp,liquid 230.06 J/mol×K 339.15 Heat Ca...
Cp,liquid 231.22 J/mol×K 341.65 Heat Ca...
Cp,liquid 217.96 J/mol×K 343.15 Tempera...
Cp,liquid 231.83 J/mol×K 344.15 Heat Ca...
Cp,liquid 232.32 J/mol×K 346.65 Heat Ca...
Cp,liquid 219.05 J/mol×K 348.15 Tempera...
Cp,liquid 233.18 J/mol×K 349.15 Heat Ca...
Cp,liquid 234.56 J/mol×K 351.65 Heat Ca...
Cp,liquid 235.17 J/mol×K 353.15 Heat Ca...
Cp,liquid 220.98 J/mol×K 353.15 Tempera...
Cp,liquid 222.42 J/mol×K 358.15 Tempera...
Cp,liquid 223.87 J/mol×K 363.15 Tempera...
Cp,liquid 225.32 J/mol×K 368.15 Tempera...
Cp,liquid 226.65 J/mol×K 373.15 Tempera...
η [0.0004778; 0.0007704] Pa×s [293.15; 333.15] Show Hide
η 0.0007704 Pa×s 293.15 Viscosi...
η 0.0007173 Pa×s 298.15 Viscosi...
η 0.0006702 Pa×s 303.15 Viscosi...
η 0.0006283 Pa×s 308.15 Viscosi...
η 0.0005910 Pa×s 313.15 Viscosi...
η 0.0005580 Pa×s 318.15 Viscosi...
η 0.0005285 Pa×s 323.15 Viscosi...
η 0.0005019 Pa×s 328.15 Viscosi...
η 0.0004778 Pa×s 333.15 Viscosi...
ΔvapH [35.67; 43.50] kJ/mol [328.00; 408.10] Show Hide
ΔvapH 40.50 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 40.00 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 41.10 kJ/mol 347.50 NIST
ΔvapH 43.50 kJ/mol 348.50 NIST
ΔvapH 39.00 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 38.40 ± 0.10 kJ/mol 368.00 NIST
ΔvapH 35.67 kJ/mol 408.10 NIST
ν [0.0000007; 0.0000009] m2/s [283.15; 313.15] Show Hide
ν 0.0000009 m2/s 283.15 Experim...
ν 0.0000008 m2/s 298.15 Experim...
ν 0.0000007 m2/s 313.15 Experim...
Pvap [1.25; 5.96] kPa [298.15; 328.15] Show Hide
Pvap 1.25 kPa 298.15 Isother...
Pvap 2.86 kPa 313.15 (Vapour...
Pvap 2.86 kPa 313.15 Excess ...
Pvap 5.96 kPa 328.15 Isother...
n0 [1.41680; 1.41720]   [298.15; 303.15] Show Hide
n0 1.41710 298.15 Densiti...
n0 1.41720 298.15 (P,Vm,T...
n0 1.41680 303.15 Densiti...
ρl [873.38; 873.50] kg/m3 [298.15; 298.15] Show Hide
ρl 873.50 kg/m3 298.15 Vapour ...
ρl 873.38 kg/m3 298.15 Experim...
csound,fluid [922.90; 1219.10] m/s [293.15; 373.15] Show Hide
csound,fluid 1219.10 m/s 293.15 Speed o...
csound,fluid 1200.10 m/s 298.15 Speed o...
csound,fluid 1181.90 m/s 303.15 Speed o...
csound,fluid 1165.20 m/s 308.15 Speed o...
csound,fluid 1143.70 m/s 313.15 Speed o...
csound,fluid 1128.10 m/s 318.15 Speed o...
csound,fluid 1106.00 m/s 323.15 Speed o...
csound,fluid 1087.00 m/s 328.15 Speed o...
csound,fluid 1068.80 m/s 333.15 Speed o...
csound,fluid 1050.20 m/s 338.15 Speed o...
csound,fluid 1031.70 m/s 343.15 Speed o...
csound,fluid 1013.30 m/s 348.15 Speed o...
csound,fluid 995.00 m/s 353.15 Speed o...
csound,fluid 976.90 m/s 358.15 Speed o...
csound,fluid 958.90 m/s 363.15 Speed o...
csound,fluid 940.60 m/s 368.15 Speed o...
csound,fluid 922.90 m/s 373.15 Speed o...

Datasets

  1. Mass density, kg/m3 (2)
  2. Speed of sound, m/s (1)

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
288.15 100.00 882.7
288.15 2000.00 884.4
288.15 4100.00 886.0
288.15 5900.00 887.5
288.15 8100.00 889.2
288.15 10100.00 890.7
288.15 12200.00 892.3
288.15 14200.00 893.8
288.15 16200.00 895.2
288.15 18200.00 896.7
288.15 20200.00 898.3
298.15 100.00 873.1
298.15 2000.00 874.8
298.15 4100.00 876.6
298.15 6100.00 878.3
298.15 8100.00 879.9
298.15 10200.00 881.7
298.15 12100.00 883.3
298.15 14200.00 885.0
298.15 16400.00 886.6
298.15 18400.00 888.1
298.15 20200.00 889.6
308.15 100.00 864.3
308.15 2000.00 866.1
308.15 4100.00 868.0
308.15 6100.00 869.7
308.15 8100.00 871.5
308.15 10200.00 873.3
308.15 12100.00 875.0
308.15 14200.00 876.7
308.15 16200.00 878.3
308.15 18300.00 879.9
308.15 20200.00 881.5
318.15 100.00 855.1
318.15 2000.00 857.0
318.15 4000.00 858.9
318.15 6100.00 860.9
318.15 8100.00 862.7
318.15 10100.00 864.6
318.15 11900.00 866.1
318.15 14100.00 868.1
318.15 16100.00 869.9
318.15 18000.00 871.4
318.15 20000.00 872.8
Reference
Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
298.15 100.00 873.1
Reference

Speed of sound, m/s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Speed of sound, m/s - Liquid
293.15 100.00 1219.1
293.15 5000.00 1240.5
293.15 9910.00 1264.5
293.15 19720.00 1310.0
293.15 29530.00 1352.6
293.15 39340.00 1392.6
293.15 49150.00 1430.1
293.15 58960.00 1465.7
293.15 68770.00 1499.3
293.15 78580.00 1531.5
293.15 88390.00 1562.3
293.15 98200.00 1591.9
293.15 108000.00 1620.6
293.15 117800.00 1648.2
293.15 127600.00 1675.2
293.15 137400.00 1701.5
293.15 147200.00 1727.1
293.15 157100.00 1752.2
293.15 166900.00 1776.7
293.15 176700.00 1800.6
293.15 186500.00 1824.0
293.15 196300.00 1846.5
313.15 100.00 1140.7
313.15 5000.00 1166.4
313.15 9910.00 1191.8
313.15 19720.00 1240.1
313.15 29530.00 1285.3
313.15 39340.00 1327.6
313.15 49150.00 1367.4
313.15 58960.00 1405.0
313.15 68770.00 1440.6
313.15 78580.00 1474.6
313.15 88390.00 1507.0
313.15 98200.00 1538.0
313.15 108000.00 1567.9
313.15 117800.00 1596.7
313.15 127600.00 1624.5
313.15 137400.00 1651.4
313.15 147200.00 1677.5
313.15 157100.00 1702.6
313.15 166900.00 1726.9
313.15 176700.00 1750.3
313.15 186500.00 1772.6
313.15 196300.00 1793.6
333.15 100.00 1068.8
333.15 5000.00 1097.1
333.15 9910.00 1124.4
333.15 19720.00 1176.0
333.15 29530.00 1224.0
333.15 39340.00 1268.8
333.15 49150.00 1310.8
333.15 58960.00 1350.4
333.15 68770.00 1387.7
333.15 78580.00 1423.2
333.15 88390.00 1457.0
333.15 98200.00 1489.4
333.15 108000.00 1520.4
333.15 117800.00 1550.3
333.15 127600.00 1579.1
333.15 137400.00 1607.0
333.15 147200.00 1633.9
333.15 157100.00 1659.9
333.15 166900.00 1684.9
333.15 176700.00 1708.9
333.15 186500.00 1731.8
333.15 196300.00 1753.5
353.15 100.00 995.0
353.15 5000.00 1026.2
353.15 9910.00 1055.4
353.15 19720.00 1110.7
353.15 29530.00 1162.0
353.15 39340.00 1209.8
353.15 49150.00 1254.5
353.15 58960.00 1296.3
353.15 68770.00 1335.8
353.15 78580.00 1373.0
353.15 88390.00 1408.3
353.15 98200.00 1441.9
353.15 108000.00 1474.0
353.15 117800.00 1504.7
353.15 127600.00 1534.3
353.15 137400.00 1562.7
353.15 147200.00 1590.1
353.15 157100.00 1616.4
353.15 166900.00 1641.8
353.15 176700.00 1666.1
353.15 186500.00 1689.4
353.15 196300.00 1711.4
373.15 100.00 922.9
373.15 5000.00 957.0
373.15 9910.00 989.6
373.15 19720.00 1050.4
373.15 29530.00 1105.8
373.15 39340.00 1156.5
373.15 49150.00 1203.2
373.15 58960.00 1246.3
373.15 68770.00 1286.9
373.15 78580.00 1324.8
373.15 88390.00 1360.8
373.15 98200.00 1395.1
373.15 108000.00 1427.9
373.15 117800.00 1459.6
373.15 127600.00 1490.1
373.15 137400.00 1519.6
373.15 147200.00 1548.1
373.15 157100.00 1575.5
373.15 166900.00 1601.7
373.15 176700.00 1626.5
373.15 186500.00 1649.5
373.15 196300.00 1670.6
393.15 100.00 853.3
393.15 5000.00 893.8
393.15 9910.00 928.6
393.15 19720.00 993.2
393.15 29530.00 1051.8
393.15 39340.00 1105.2
393.15 49150.00 1154.2
393.15 58960.00 1199.4
393.15 68770.00 1241.4
393.15 78580.00 1280.8
393.15 88390.00 1318.0
393.15 98200.00 1353.3
393.15 108000.00 1387.2
393.15 117800.00 1419.7
393.15 127600.00 1451.2
393.15 137400.00 1481.6
393.15 147200.00 1511.1
393.15 157100.00 1539.5
393.15 166900.00 1566.9
393.15 176700.00 1592.8
393.15 186500.00 1617.2
393.15 196300.00 1639.7
413.15 100.00 784.0
413.15 5000.00 829.4
413.15 9910.00 867.7
413.15 19720.00 938.1
413.15 29530.00 1001.1
413.15 39340.00 1057.7
413.15 49150.00 1109.0
413.15 58960.00 1155.8
413.15 68770.00 1198.9
413.15 78580.00 1239.1
413.15 88390.00 1276.9
413.15 98200.00 1312.8
413.15 108000.00 1347.4
413.15 117800.00 1380.6
413.15 127600.00 1413.0
413.15 137400.00 1444.5
413.15 147200.00 1475.2
413.15 157100.00 1504.9
413.15 166900.00 1533.7
413.15 176700.00 1560.9
413.15 186500.00 1586.4
413.15 196300.00 1609.7
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [307.59; 431.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55612e+01
Coefficient B-3.86347e+03
Coefficient C-5.46410e+01
Temperature range, min.307.59
Temperature range, max.431.58
Pvap 1.33 kPa 307.59 Calculated Property
Pvap 2.93 kPa 321.37 Calculated Property
Pvap 5.98 kPa 335.14 Calculated Property
Pvap 11.39 kPa 348.92 Calculated Property
Pvap 20.49 kPa 362.70 Calculated Property
Pvap 35.04 kPa 376.47 Calculated Property
Pvap 57.36 kPa 390.25 Calculated Property
Pvap 90.31 kPa 404.03 Calculated Property
Pvap 137.38 kPa 417.80 Calculated Property
Pvap 202.67 kPa 431.58 Calculated Property
Pvap [0.69; 104.41] kPa [288.15; 409.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.03644e+02
Coefficient B-8.56728e+03
Coefficient C-1.32703e+01
Coefficient D1.04706e-05
Temperature range, min.288.15
Temperature range, max.409.15
Pvap 0.69 kPa 288.15 Calculated Property
Pvap 1.53 kPa 301.59 Calculated Property
Pvap 3.15 kPa 315.04 Calculated Property
Pvap 6.03 kPa 328.48 Calculated Property
Pvap 10.86 kPa 341.93 Calculated Property
Pvap 18.53 kPa 355.37 Calculated Property
Pvap 30.18 kPa 368.82 Calculated Property
Pvap 47.22 kPa 382.26 Calculated Property
Pvap 71.31 kPa 395.71 Calculated Property
Pvap 104.41 kPa 409.15 Calculated Property

Similar Compounds

Heptane, 1-chloro-. Nonadecane, 1-chloro-. Tetradecane, 1-chloro-. Behenyl chloride. Heptacosane, 1-chloro-. Dodecane, 1-chloro-. 1-Chloroundecane. 1-Chloroeicosane. Octane, 1-chloro-. Decane, 1-chloro-. Nonane, 1-chloro-. Hexadecane, 1-chloro-. 1-chlorotetracosane. Octadecane, 1-chloro-. Hexane, 1,6-dichloro-.

Find more compounds similar to Hexane, 1-chloro-.

Mixtures

Sources

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