Substance
- Substance Name: squalene
- Formula: C30H50
- Molecular Weight: 410.7 g/mol
- Identifiers:
- casrn: 111-02-4
- pubchemId: 638072
- iupacname: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
- inchi: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
- inchikey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
- csmiles: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
- ismiles: CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
- wikidataId: Q407560
- chemspiderId: 553635
- dsstoxcmpId: DTXCID406044
- chemblId: CHEMBL458402
- ecnumber: 203-826-1
squalene
Systems and Datasets
- oleic acid + carbon dioxide + squalene (Datasets: 3)
- Dataset 3 in paper 10.1021/acs.jced.7b00620 (Dataseries: 3, Datapoints: 15, Quantity: Mole fraction)
- Dataset 4 in paper 10.1021/acs.jced.7b00620 (Dataseries: 3, Datapoints: 15, Quantity: Mole fraction)
- Dataset 1 in paper 10.1021/je060459u (Dataseries: 3, Datapoints: 20, Quantity: Mole fraction)
- carbon dioxide + 2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene (Datasets: 4)
- Dataset 1 in paper 10.1021/acs.jced.7b00620 (Dataseries: 2, Datapoints: 6, Quantity: Mole fraction)
- Dataset 1 in paper 10.1021/je1001939 (Dataseries: 3, Datapoints: 17, Quantity: Vapor pressure)
- Dataset 2 in paper 10.1021/je1001939 (Dataseries: 3, Datapoints: 17, Quantity: Mass fraction)
- Dataset 2 in paper 10.1021/je101228k (Dataseries: 2, Datapoints: 9, Quantity: Mass fraction)
- carbon dioxide + 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- + hexadecanoic acid (Datasets: 2)
- Dataset 5 in paper 10.1021/acs.jced.7b00620 (Dataseries: 3, Datapoints: 15, Quantity: Mole fraction)
- Dataset 6 in paper 10.1021/acs.jced.7b00620 (Dataseries: 3, Datapoints: 15, Quantity: Mole fraction)
- 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- + carbon dioxide + hydrogen (Datasets: 1)
- Dataset 4 in paper 10.1021/je800926z (Dataseries: 3, Datapoints: 27, Quantity: Mole fraction)
- 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- (Datasets: 2)
- Dataset 1 in paper 10.1016/j.jct.2019.03.032 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of vaporization or sublimation)
- Dataset 2 in paper 10.1016/j.jct.2019.03.032 (Dataseries: 1, Datapoints: 32, Quantity: Vapor pressure)