Chemical Properties of 2-Heptylthiol (CAS 628-00-2)

2-Heptylthiol

PDF Excel Molecule Calculator
InChI
InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChI Key
DAZNOIJJVKASGS-UHFFFAOYSA-N
Formula
C7H16S
SMILES
CCCCCC(C)S
Molecular Weight1
132.27
CAS
628-00-2
Other Names
  • 2-heptanethiol
  • heptane-2-thiol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf 35.01 kJ/mol Joback Calculated Property
Δfgas -154.61 kJ/mol Joback Calculated Property
Δfus 14.40 kJ/mol Joback Calculated Property
Δvap 37.52 kJ/mol Joback Calculated Property
log10WS -2.94 Crippen Calculated Property
logPoct/wat 2.885 Crippen Calculated Property
McVol 125.840 ml/mol McGowan Calculated Property
Pc 3025.61 kPa Joback Calculated Property
Inp 983.00 NIST
I [1160.00; 1197.00]   Show Hide
I 1165.50 NIST
I 1160.00 NIST
I 1197.00 NIST
I 1197.00 NIST
Tboil 437.00 ± 3.00 K NIST
Tc 613.54 K Joback Calculated Property
Tfus 132.20 ± 0.30 K NIST
Vc 0.475 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [243.65; 314.27] J/mol×K [421.98; 613.54] Show Hide
Cp,gas 243.65 J/mol×K 421.98 Joback Calculated Property
Cp,gas 256.79 J/mol×K 453.91 Joback Calculated Property
Cp,gas 269.35 J/mol×K 485.83 Joback Calculated Property
Cp,gas 281.37 J/mol×K 517.76 Joback Calculated Property
Cp,gas 292.85 J/mol×K 549.69 Joback Calculated Property
Cp,gas 303.81 J/mol×K 581.61 Joback Calculated Property
Cp,gas 314.27 J/mol×K 613.54 Joback Calculated Property
ΔvapH [44.10; 47.20] kJ/mol [390.00; 407.00] Show Hide
ΔvapH 44.10 kJ/mol 390.00 NIST
ΔvapH 44.20 kJ/mol 392.00 NIST
ΔvapH 47.20 kJ/mol 407.00 NIST

Similar Compounds

2-Heptanethiol. 2-Octanethiol. 2-nonanethiol. 2-Hexanethiol. CycloHeptanethiol. 3-heptanethiol. Cyclohexanethiol. 4-heptanethiol. 2-Pentanethiol. 3-Hexanethiol. Cyclopentanethiol. trans-4-Methylcyclohexane-1-thiol. cis-4-Methylcyclohexane-1-thiol. 3-Mercaptooctanal. 3-Mercaptononanal.

Find more compounds similar to 2-Heptylthiol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.