Chemical Properties of Cycloheptane (CAS 291-64-5)

Cycloheptane

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InChI
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
InChI Key
DMEGYFMYUHOHGS-UHFFFAOYSA-N
Formula
C7H14
SMILES
C1CCCCCC1
Molecular Weight1
98.19
CAS
291-64-5
Sources

Physical Properties

Property Value Unit Source
Δcliquid [-4598.90; -4586.50] kJ/mol Show Hide
Δcliquid -4597.00 ± 0.80 kJ/mol NIST
Δcliquid -4597.60 ± 0.60 kJ/mol NIST
Δcliquid -4598.90 ± 1.70 kJ/mol NIST
Δcliquid -4586.50 kJ/mol NIST
Δf 28.12 kJ/mol Joback Calculated Property
Δfgas -119.31 kJ/mol Joback Calculated Property
Δfliquid -156.40 ± 1.70 kJ/mol NIST
Δfus 2.55 kJ/mol Joback Calculated Property
Δvap [37.00; 39.40] kJ/mol Show Hide
Δvap 38.50 kJ/mol NIST
Δvap 38.50 ± 2.10 kJ/mol NIST
Δvap 38.50 ± 0.20 kJ/mol NIST
Δvap 39.40 kJ/mol NIST
Δvap 37.00 kJ/mol NIST
IE [9.82; 9.97] eV Show Hide
IE 9.90 ± 0.10 eV NIST
IE 9.82 ± 0.05 eV NIST
IE 9.96 eV NIST
IE 9.97 eV NIST
IE 9.88 ± 0.05 eV NIST
logPoct/wat 2.731 Crippen Calculated Property
Pc 3820.00 ± 40.00 kPa NIST
Pc 3813.00 ± 50.00 kPa NIST
Pc 3826.00 ± 40.53 kPa NIST
gas 342.30 ± 1.30 J/mol×K NIST
liquid 242.55 J/mol×K NIST
Tboil [391.25; 393.00] K Show Hide
Tboil 391.70 K NIST
Tboil Outlier 393.00 ± 2.00 K NIST
Tboil 391.99 ± 0.20 K NIST
Tboil 391.99 ± 0.30 K NIST
Tboil 391.99 ± 0.30 K NIST
Tboil 391.63 ± 0.30 K NIST
Tboil 391.25 ± 0.60 K NIST
Tboil 392.15 ± 2.00 K NIST
Tc 604.20 ± 0.50 K NIST
Tc 604.20 ± 0.50 K NIST
Tfus [260.95; 265.20] K Show Hide
Tfus 264.69 ± 0.25 K NIST
Tfus 265.20 ± 2.00 K NIST
Tfus 265.02 ± 0.06 K NIST
Tfus 265.02 ± 0.04 K NIST
Tfus 265.05 ± 0.02 K NIST
Tfus Outlier 260.95 ± 0.30 K NIST
Ttriple 265.00 ± 0.07 K NIST
Ttriple 265.12 ± 0.05 K NIST
Ttriple 265.10 ± 3.00 K NIST
Vc 0.353 m3/kg-mol NIST
Vc 0.354 ± 0.007 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 170.69 J/mol×K 388.05 Joback Calculated Property
Cp,liquid 180.61 J/mol×K 298.15 NIST
Cp,liquid 180.47 J/mol×K 298.15 NIST
Cp,liquid 180.75 J/mol×K 298.15 NIST
η 0.0002760 Pa×s 388.05 Joback Calculated Property
ΔfusH [0.29; 4.98] kJ/mol [134.80; 265.10] Show Hide
ΔfusH 4.98 kJ/mol 134.8 NIST
ΔfusH 0.29 kJ/mol 198.2 NIST
ΔfusH 0.45 kJ/mol 212.4 NIST
ΔfusH 1.88 kJ/mol 265.1 NIST
ΔsubH 53.50 kJ/mol 134.0 NIST
ΔvapH [31.70; 38.60] kJ/mol [307.50; 540.00] Show Hide
ΔvapH 38.60 kJ/mol 307.5 NIST
ΔvapH 36.40 kJ/mol 365.5 NIST
ΔvapH 36.10 kJ/mol 387.0 NIST
ΔvapH 31.70 kJ/mol 540.0 NIST
ΔfusS [1.46; 36.94] J/mol×K [134.80; 265.10] Show Hide
ΔfusS 36.94 J/mol×K 134.8 NIST
ΔfusS 1.46 J/mol×K 198.2 NIST
ΔfusS 2.11 J/mol×K 212.4 NIST
ΔfusS 7.10 J/mol×K 265.1 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- (ring) 7

Similar Compounds

1-Heptyl radical. Heptane. 2-Heptyl radical. Octane. Cycloundecane. dohexacontane. n-Hexacosane. CYCLOOCTACOSANE. octyl. HENTRIACONTANE. Cyclotetracosane. Heptatriacontane. n-Pentatriacotane. Hexacontane. Nonane.

Find more compounds similar to Cycloheptane.

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