Chemical Properties of Cyclobutanone (CAS 1191-95-3)

Cyclobutanone

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InChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2
InChI Key
SHQSVMDWKBRBGB-UHFFFAOYSA-N
Formula
C4H6O
SMILES
O=C1CCC1
Molecular Weight1
70.09
CAS
1191-95-3

Physical Properties

Property Value Unit Source
PAff 802.50 kJ/mol NIST
BasG 772.70 kJ/mol NIST
Δcliquid [-2300.70; -2292.10] kJ/mol Show Hide
Δcliquid -2300.70 ± 0.63 kJ/mol NIST
Δcliquid -2292.10 ± 1.20 kJ/mol NIST
EA 9.99e-04 eV NIST
Δf -83.43 kJ/mol Joback Calculated Property
Δfgas [-101.00; -91.60] kJ/mol Show Hide
Δfgas -91.60 kJ/mol NIST
Δfgas -101.00 ± 1.00 kJ/mol NIST
Δfliquid [-139.50; -131.00] kJ/mol Show Hide
Δfliquid -131.00 kJ/mol NIST
Δfliquid -139.50 ± 1.20 kJ/mol NIST
Δfus 0.59 kJ/mol Joback Calculated Property
Δvap [38.20; 38.40] kJ/mol Show Hide
Δvap 38.30 kJ/mol NIST
Δvap 38.40 kJ/mol NIST
Δvap 38.20 ± 0.42 kJ/mol NIST
Δvap 38.20 ± 0.40 kJ/mol NIST
IE [9.35; 9.61] eV Show Hide
IE 9.35 eV NIST
IE 9.40 ± 0.10 eV NIST
IE 9.60 ± 0.10 eV NIST
IE 9.35 eV NIST
IE 9.61 ± 0.02 eV NIST
log10WS -0.67 Crippen Calculated Property
logPoct/wat 0.739 Crippen Calculated Property
McVol 57.930 ml/mol McGowan Calculated Property
Pc 5258.62 kPa Joback Calculated Property
Inp [633.00; 647.00]   Show Hide
Inp 642.00 NIST
Inp 639.00 NIST
Inp 641.00 NIST
Inp 641.00 NIST
Inp 645.00 NIST
Inp 647.00 NIST
Inp 639.00 NIST
Inp Outlier 633.00 NIST
Inp 642.00 NIST
Inp 647.00 NIST
Tboil [372.05; 1171.15] K Show Hide
Tboil 372.05 K KDB
Tboil 372.20 K NIST
Tboil 1171.15 ± 1.50 K NIST
Tboil 372.90 ± 0.50 K NIST
Tboil 372.20 ± 4.00 K NIST
Tc 587.84 K Joback Calculated Property
Tfus 221.72 K Joback Calculated Property
Vc 0.216 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [93.90; 142.11] J/mol×K [374.42; 587.84] Show Hide
Cp,gas 93.90 J/mol×K 374.42 Joback Calculated Property
Cp,gas 102.89 J/mol×K 409.99 Joback Calculated Property
Cp,gas 111.48 J/mol×K 445.56 Joback Calculated Property
Cp,gas 119.70 J/mol×K 481.13 Joback Calculated Property
Cp,gas 127.54 J/mol×K 516.70 Joback Calculated Property
Cp,gas 135.01 J/mol×K 552.27 Joback Calculated Property
Cp,gas 142.11 J/mol×K 587.84 Joback Calculated Property
ΔfusH [10.80; 10.80] kJ/mol [220.50; 220.50] Show Hide
ΔfusH 10.80 kJ/mol 220.50 NIST
ΔfusH 10.80 kJ/mol 220.50 NIST
ΔvapH [36.30; 38.50] kJ/mol [273.50; 348.50] Show Hide
ΔvapH 38.50 kJ/mol 273.50 NIST
ΔvapH 37.70 kJ/mol 322.50 NIST
ΔvapH 36.30 kJ/mol 348.50 NIST

Similar Compounds

Butanal. 2-Pentanone. Cyclopentanone. 2-Butanone. 3-Hexanone. Cyclobutyl radical. Cyclobutane. Cyclobutane-d8. Cyclohexanone. Glutaraldehyde. 4-Heptanone. 2,6-Heptanedione. Cycloheptanone. Cyclooctadecanone. Cyclododecanone.

Find more compounds similar to Cyclobutanone.

Sources

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