Chemical Properties of Heptanal (CAS 111-71-7)

Heptanal

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InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChI Key
FXHGMKSSBGDXIY-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCCCCC=O
Molecular Weight1
114.19
CAS
111-71-7
Other Names
  • 1-Heptaldehyde
  • 1-Heptanal
  • 1-hexanecarbaldehyde
  • ENANTHAL
  • ENANTHIC ALDEHYDE
  • Enanthaldehyde
  • Enanthole
  • Heptaldehyde
  • Heptan-1-al
  • Heptanaldehyde
  • Heptyl aldehyde
  • N-HEPTALDEHYDE
  • NSC 2190
  • Oenanthal
  • Oenanthaldehyde
  • Oenanthic aldehyde
  • Oenanthol
  • n-C6H13CHO
  • n-Heptanal
  • n-Heptylaldehyde

Physical Properties

Property Value Unit Source
ω 0.2590 KDB
Δcliquid -4444.00 ± 4.00 kJ/mol NIST
Δf -91.46 kJ/mol Joback Calculated Property
Δfgas -264.00 ± 4.20 kJ/mol NIST
Δfliquid -312.00 ± 4.00 kJ/mol NIST
Δfus 16.18 kJ/mol Joback Calculated Property
Δvap [47.30; 48.70] kJ/mol Show Hide
Δvap 48.70 kJ/mol NIST
Δvap 47.30 ± 0.10 kJ/mol NIST
Δvap 48.00 ± 1.00 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
Δvap 48.00 ± 1.30 kJ/mol NIST
IE 9.65 ± 0.02 eV NIST
log10WS -1.70 Aq. Sol...
logPoct/wat 2.156 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
Pc [3030.00; 3160.00] kPa Show Hide
Pc 3030.00 kPa KDB
Pc 3160.00 ± 25.00 kPa NIST
ρc 262.63 ± 4.57 kg/m3 NIST
Inp [137.00; 937.00]   Show Hide
Inp 851.00 NIST
Inp 882.00 NIST
Inp 877.00 NIST
Inp 879.00 NIST
Inp 880.00 NIST
Inp 889.00 NIST
Inp 867.00 NIST
Inp 883.00 NIST
Inp 865.00 NIST
Inp 874.00 NIST
Inp 870.00 NIST
Inp 877.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 884.00 NIST
Inp 899.00 NIST
Inp 894.00 NIST
Inp 876.00 NIST
Inp 881.00 NIST
Inp 896.00 NIST
Inp 896.00 NIST
Inp 878.00 NIST
Inp 872.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 883.00 NIST
Inp 884.00 NIST
Inp 888.00 NIST
Inp 889.00 NIST
Inp 882.00 NIST
Inp 883.00 NIST
Inp 898.00 NIST
Inp 883.00 NIST
Inp 880.00 NIST
Inp 875.00 NIST
Inp 903.00 NIST
Inp 904.00 NIST
Inp 879.00 NIST
Inp 860.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 903.00 NIST
Inp 899.00 NIST
Inp 907.00 NIST
Inp 900.00 NIST
Inp 906.00 NIST
Inp 897.00 NIST
Inp 860.00 NIST
Inp 904.00 NIST
Inp 882.00 NIST
Inp 899.00 NIST
Inp 913.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 905.00 NIST
Inp 933.00 NIST
Inp 901.00 NIST
Inp 903.00 NIST
Inp 900.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 907.00 NIST
Inp 907.00 NIST
Inp 907.00 NIST
Inp 906.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 900.00 NIST
Inp 899.00 NIST
Inp 904.00 NIST
Inp 906.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 879.00 NIST
Inp 902.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 903.00 NIST
Inp 892.00 NIST
Inp 901.00 NIST
Inp 899.00 NIST
Inp 874.10 NIST
Inp 915.00 NIST
Inp 911.00 NIST
Inp 913.00 NIST
Inp 906.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 903.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 906.00 NIST
Inp 878.00 NIST
Inp 910.00 NIST
Inp 913.00 NIST
Inp 899.00 NIST
Inp 905.00 NIST
Inp 899.00 NIST
Inp 883.00 NIST
Inp 883.00 NIST
Inp 898.00 NIST
Inp 910.00 NIST
Inp 913.00 NIST
Inp 883.00 NIST
Inp 884.00 NIST
Inp 882.00 NIST
Inp 914.00 NIST
Inp 873.00 NIST
Inp 900.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 878.10 NIST
Inp 899.70 NIST
Inp 882.00 NIST
Inp 898.00 NIST
Inp 898.00 NIST
Inp 897.00 NIST
Inp 870.00 NIST
Inp 879.00 NIST
Inp 885.00 NIST
Inp 898.00 NIST
Inp 879.00 NIST
Inp 880.00 NIST
Inp 882.00 NIST
Inp 877.00 NIST
Inp 901.00 NIST
Inp 896.00 NIST
Inp 885.00 NIST
Inp 881.00 NIST
Inp 868.00 NIST
Inp 868.00 NIST
Inp 875.00 NIST
Inp 895.00 NIST
Inp 910.00 NIST
Inp 893.00 NIST
Inp 902.00 NIST
Inp 914.00 NIST
Inp 914.00 NIST
Inp 903.00 NIST
Inp 893.00 NIST
Inp 902.00 NIST
Inp 899.00 NIST
Inp 892.00 NIST
Inp 903.00 NIST
Inp 904.00 NIST
Inp 907.00 NIST
Inp 902.00 NIST
Inp 905.00 NIST
Inp 902.00 NIST
Inp 910.00 NIST
Inp 902.00 NIST
Inp 908.00 NIST
Inp 878.00 NIST
Inp 912.00 NIST
Inp 880.00 NIST
Inp 917.00 NIST
Inp 910.00 NIST
Inp 913.00 NIST
Inp 899.00 NIST
Inp 880.00 NIST
Inp 877.00 NIST
Inp 888.00 NIST
Inp 857.00 NIST
Inp 901.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 906.00 NIST
Inp 903.00 NIST
Inp 900.00 NIST
Inp 878.00 NIST
Inp 858.00 NIST
Inp 903.00 NIST
Inp 912.00 NIST
Inp 902.00 NIST
Inp 897.00 NIST
Inp 903.00 NIST
Inp 901.00 NIST
Inp 906.00 NIST
Inp 910.00 NIST
Inp 883.00 NIST
Inp 864.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 880.00 NIST
Inp 883.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 882.00 NIST
Inp 877.00 NIST
Inp 902.00 NIST
Inp 907.00 NIST
Inp 903.00 NIST
Inp 897.00 NIST
Inp 897.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 904.00 NIST
Inp 874.00 NIST
Inp 874.00 NIST
Inp 897.00 NIST
Inp 902.00 NIST
Inp 903.00 NIST
Inp 908.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 899.00 NIST
Inp 937.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 901.00 NIST
Inp 880.00 NIST
Inp 908.00 NIST
Inp 900.00 NIST
Inp 902.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 877.00 NIST
Inp 900.00 NIST
Inp 896.00 NIST
Inp 901.00 NIST
Inp 900.00 NIST
Inp 908.00 NIST
Inp 900.00 NIST
Inp 877.00 NIST
Inp 901.00 NIST
Inp 896.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 899.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 873.00 NIST
Inp 877.00 NIST
Inp 879.00 NIST
Inp 881.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 879.00 NIST
Inp 901.00 NIST
Inp 906.00 NIST
Inp 909.00 NIST
Inp 881.00 NIST
Inp 890.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 882.00 NIST
Inp 880.65 NIST
Inp 879.00 NIST
Inp 900.00 NIST
Inp 895.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 888.00 NIST
Inp 902.00 NIST
Inp 876.00 NIST
Inp 899.00 NIST
Inp 900.00 NIST
Inp 909.00 NIST
Inp 876.00 NIST
Inp 900.00 NIST
Inp 876.00 NIST
Inp 898.00 NIST
Inp 878.00 NIST
Inp 883.00 NIST
Inp 900.00 NIST
Inp 898.00 NIST
Inp 898.00 NIST
Inp 897.00 NIST
Inp 880.00 NIST
Inp 882.00 NIST
Inp 881.00 NIST
Inp 902.00 NIST
Inp 901.00 NIST
Inp 903.00 NIST
Inp 883.00 NIST
Inp 878.00 NIST
Inp 881.00 NIST
Inp 878.00 NIST
Inp 878.00 NIST
Inp 879.00 NIST
Inp 876.00 NIST
Inp 878.00 NIST
Inp 875.00 NIST
Inp 878.00 NIST
Inp 877.00 NIST
Inp 875.00 NIST
Inp 877.00 NIST
Inp 876.00 NIST
Inp 877.00 NIST
Inp 871.00 NIST
Inp 877.00 NIST
Inp 878.00 NIST
Inp 895.00 NIST
Inp 896.00 NIST
Inp 885.00 NIST
Inp 907.00 NIST
Inp 921.00 NIST
Inp 900.00 NIST
Inp 906.00 NIST
Inp 900.00 NIST
Inp 899.00 NIST
Inp 913.00 NIST
Inp 905.00 NIST
Inp 900.00 NIST
Inp 902.00 NIST
Inp 916.00 NIST
Inp 921.00 NIST
Inp 865.00 NIST
Inp 906.00 NIST
Inp 901.00 NIST
Inp 897.00 NIST
Inp 900.00 NIST
Inp 910.00 NIST
Inp 896.00 NIST
Inp 905.00 NIST
Inp 902.00 NIST
Inp 904.00 NIST
Inp 877.00 NIST
Inp 902.00 NIST
Inp 870.00 NIST
Inp 907.00 NIST
Inp 882.00 NIST
Inp 903.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 903.00 NIST
Inp 903.00 NIST
Inp 901.00 NIST
Inp 891.00 NIST
Inp 903.00 NIST
Inp 899.00 NIST
Inp 897.00 NIST
Inp 904.00 NIST
Inp 914.00 NIST
Inp 860.00 NIST
Inp 881.00 NIST
Inp 873.00 NIST
Inp 914.00 NIST
Inp 902.00 NIST
Inp 896.00 NIST
Inp 903.00 NIST
Inp 899.00 NIST
Inp 872.00 NIST
Inp 894.00 NIST
Inp 883.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 877.00 NIST
Inp 909.00 NIST
Inp 884.00 NIST
Inp 893.00 NIST
Inp 877.00 NIST
Inp 883.00 NIST
Inp 903.00 NIST
Inp 888.00 NIST
Inp 877.00 NIST
Inp 904.00 NIST
Inp 902.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 877.00 NIST
Inp 877.00 NIST
Inp 885.00 NIST
Inp 900.00 NIST
Inp 903.00 NIST
Inp 904.00 NIST
Inp 913.00 NIST
Inp 917.00 NIST
Inp 916.00 NIST
Inp 909.00 NIST
Inp 882.00 NIST
Inp 911.00 NIST
Inp 900.00 NIST
Inp 890.00 NIST
Inp 876.00 NIST
Inp 905.00 NIST
Inp 883.00 NIST
Inp 878.00 NIST
Inp 878.00 NIST
Inp 879.00 NIST
Inp 880.00 NIST
Inp 883.00 NIST
Inp 883.00 NIST
Inp 902.00 NIST
Inp 875.00 NIST
Inp 883.00 NIST
Inp 905.00 NIST
Inp 883.00 NIST
Inp Outlier 137.00 NIST
Inp 877.00 NIST
I [1148.00; 1222.00]   Show Hide
I Outlier 1217.80 NIST
I 1199.60 NIST
I 1205.30 NIST
I 1211.50 NIST
I 1168.00 NIST
I Outlier 1222.00 NIST
I 1170.00 NIST
I 1181.00 NIST
I 1186.00 NIST
I 1196.00 NIST
I 1186.00 NIST
I 1188.00 NIST
I 1183.00 NIST
I 1194.00 NIST
I 1190.00 NIST
I 1167.00 NIST
I 1171.00 NIST
I 1173.00 NIST
I Outlier 1151.00 NIST
I Outlier 1154.00 NIST
I 1186.00 NIST
I 1185.00 NIST
I 1190.00 NIST
I 1182.00 NIST
I 1173.00 NIST
I 1176.00 NIST
I 1175.00 NIST
I 1182.00 NIST
I 1178.00 NIST
I 1180.00 NIST
I 1196.00 NIST
I 1206.00 NIST
I 1176.00 NIST
I 1184.00 NIST
I 1174.00 NIST
I 1199.00 NIST
I 1197.00 NIST
I 1197.00 NIST
I 1197.00 NIST
I 1174.00 NIST
I 1174.00 NIST
I 1180.00 NIST
I 1197.00 NIST
I 1186.00 NIST
I 1177.00 NIST
I 1189.00 NIST
I 1189.00 NIST
I 1197.00 NIST
I 1180.00 NIST
I 1188.00 NIST
I 1176.00 NIST
I Outlier 1214.00 NIST
I 1179.00 NIST
I 1167.00 NIST
I 1195.00 NIST
I 1197.00 NIST
I 1210.00 NIST
I 1204.00 NIST
I 1181.00 NIST
I 1181.00 NIST
I 1179.00 NIST
I 1208.00 NIST
I 1181.00 NIST
I 1162.00 NIST
I 1165.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I 1176.00 NIST
I 1176.00 NIST
I 1177.00 NIST
I 1183.00 NIST
I 1183.00 NIST
I 1174.00 NIST
I 1208.00 NIST
I Outlier 1156.00 NIST
I 1194.00 NIST
I 1196.00 NIST
I 1198.00 NIST
I 1182.00 NIST
I 1191.00 NIST
I 1191.00 NIST
I 1171.00 NIST
I 1184.00 NIST
I 1188.00 NIST
I 1186.00 NIST
I 1191.00 NIST
I 1188.00 NIST
I 1191.00 NIST
I 1173.00 NIST
I 1187.00 NIST
I Outlier 1148.00 NIST
I 1167.00 NIST
I 1173.00 NIST
I 1190.00 NIST
I Outlier 1213.00 NIST
I 1192.00 NIST
I 1182.00 NIST
I 1200.00 NIST
I 1200.00 NIST
I 1198.00 NIST
I 1189.00 NIST
I 1194.00 NIST
I 1182.00 NIST
I 1188.00 NIST
I Outlier 1149.00 NIST
I 1187.00 NIST
I Outlier 1155.00 NIST
I 1174.00 NIST
I 1179.00 NIST
I 1188.00 NIST
I 1170.00 NIST
I 1168.00 NIST
I 1189.00 NIST
I 1192.00 NIST
I 1202.00 NIST
I Outlier 1215.00 NIST
I 1181.00 NIST
I 1157.00 NIST
I 1160.00 NIST
I 1185.00 NIST
I 1195.00 NIST
I 1195.00 NIST
I 1183.00 NIST
I 1180.00 NIST
I 1193.00 NIST
I 1186.00 NIST
I 1192.00 NIST
I 1194.00 NIST
I 1195.00 NIST
I 1163.00 NIST
I 1202.00 NIST
I 1184.00 NIST
I 1172.00 NIST
I 1169.00 NIST
I 1164.00 NIST
I 1211.00 NIST
I Outlier 1215.00 NIST
I Outlier 1219.00 NIST
I 1176.00 NIST
I 1178.00 NIST
I 1195.00 NIST
I 1180.00 NIST
I 1184.00 NIST
I 1185.00 NIST
I 1180.00 NIST
I 1162.00 NIST
I 1201.00 NIST
I 1210.00 NIST
I 1178.00 NIST
I 1167.00 NIST
I 1184.00 NIST
I 1188.00 NIST
I 1195.00 NIST
I 1183.00 NIST
I 1180.00 NIST
I 1204.00 NIST
I 1171.00 NIST
I 1180.00 NIST
I 1158.00 NIST
I 1176.00 NIST
I 1186.00 NIST
I 1172.00 NIST
I 1184.00 NIST
I 1160.00 NIST
I 1171.00 NIST
I 1175.00 NIST
I 1184.00 NIST
I 1184.00 NIST
I 1184.00 NIST
I 1186.00 NIST
I 1188.00 NIST
I 1183.00 NIST
I 1186.00 NIST
I 1160.00 NIST
I 1160.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I 1196.00 NIST
I 1186.00 NIST
I 1180.00 NIST
I 1181.00 NIST
I 1180.00 NIST
I 1181.00 NIST
I 1174.00 NIST
I 1190.00 NIST
I 1190.00 NIST
I 1190.00 NIST
I Outlier 1150.00 NIST
I Outlier 1151.00 NIST
I 1182.00 NIST
I 1175.00 NIST
I 1208.00 NIST
I 1195.00 NIST
I 1191.00 NIST
I 1207.00 NIST
I 1194.00 NIST
I 1184.00 NIST
I 1174.00 NIST
I 1188.00 NIST
I 1167.00 NIST
I 1174.00 NIST
I 1186.00 NIST
I 1191.00 NIST
I 1200.00 NIST
I 1175.00 NIST
I 1178.00 NIST
I 1178.00 NIST
I 1190.00 NIST
I 1174.00 NIST
I 1194.00 NIST
I 1194.00 NIST
I 1194.00 NIST
I 1170.00 NIST
I 1165.00 NIST
I 1194.00 NIST
I 1176.00 NIST
I 1183.00 NIST
I 1184.00 NIST
I 1194.00 NIST
I 1200.00 NIST
I 1184.00 NIST
I 1186.00 NIST
I 1194.00 NIST
I 1194.00 NIST
I 1195.00 NIST
I 1195.00 NIST
I 1195.00 NIST
I 1195.00 NIST
I 1195.00 NIST
I Outlier 1156.00 NIST
I 1184.00 NIST
I 1189.00 NIST
I 1177.00 NIST
I 1185.00 NIST
I 1189.00 NIST
I 1186.00 NIST
I 1177.00 NIST
I 1181.00 NIST
I 1195.00 NIST
I 1165.00 NIST
I 1195.00 NIST
I 1182.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I Outlier 1149.00 NIST
gas 461.50 ± 4.20 J/mol×K NIST
liquid [335.40; 348.50] J/mol×K Show Hide
liquid 335.40 J/mol×K NIST
liquid 348.50 J/mol×K NIST
Tboil 425.00 K KDB
Tc [161.80; 638.50] K Show Hide
Tc 638.50 K KDB
Tc 616.70 ± 0.60 K NIST
Tc 161.80 ± 0.40 K NIST
Tfus [230.00; 230.07] K Show Hide
Tfus 230.00 K KDB
Tfus 230.07 K Aq. Sol...
Ttriple [229.20; 229.80] K Show Hide
Ttriple 229.20 ± 0.02 K NIST
Ttriple 229.80 ± 0.20 K NIST
Vc 0.445 m3/kmol KDB
Zc 0.2536980 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [216.98; 276.95] J/mol×K [408.22; 579.93] Show Hide
Cp,gas 216.98 J/mol×K 408.22 Joback Calculated Property
Cp,gas 228.00 J/mol×K 436.84 Joback Calculated Property
Cp,gas 238.59 J/mol×K 465.46 Joback Calculated Property
Cp,gas 248.78 J/mol×K 494.08 Joback Calculated Property
Cp,gas 258.56 J/mol×K 522.69 Joback Calculated Property
Cp,gas 267.94 J/mol×K 551.31 Joback Calculated Property
Cp,gas 276.95 J/mol×K 579.93 Joback Calculated Property
Cp,liquid [204.60; 250.33] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 204.60 J/mol×K 298.00 NIST
Cp,liquid 230.78 J/mol×K 298.15 NIST
Cp,liquid 250.33 J/mol×K 298.15 NIST
η [0.0003210; 0.0046356] Pa×s [210.65; 408.22] Show Hide
η 0.0046356 Pa×s 210.65 Joback Calculated Property
η 0.0021988 Pa×s 243.58 Joback Calculated Property
η 0.0012457 Pa×s 276.51 Joback Calculated Property
η 0.0007965 Pa×s 309.43 Joback Calculated Property
η 0.0005550 Pa×s 342.36 Joback Calculated Property
η 0.0004120 Pa×s 375.29 Joback Calculated Property
η 0.0003210 Pa×s 408.22 Joback Calculated Property
ΔfusH [22.89; 23.59] kJ/mol [229.30; 229.80] Show Hide
ΔfusH 22.89 kJ/mol 229.30 NIST
ΔfusH 22.89 kJ/mol 229.30 NIST
ΔfusH 23.59 kJ/mol 229.80 NIST
ΔvapH [47.75; 62.00] kJ/mol [356.50; 425.00] Show Hide
ΔvapH 62.00 kJ/mol 356.50 NIST
ΔvapH 47.75 kJ/mol 425.00 KDB
ρl 816.83 kg/m3 298.15 Liquid-...
ΔfusS 102.63 J/mol×K 229.80 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 332.80 K 4.00 NIST

Similar Compounds

Tridecanal. Octadecanal. Pentacosanal. Decanal. Dodecanal. Heneicosanal. Tetradecanal. Undecanal. Nonanal. Docosanal. Heptacosanal. Tricosanal. Pentadecanal-. hexacosanal. Tetracosanal.

Find more compounds similar to Heptanal.

Sources

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