Chemical Properties of 1-Methyladamantane (CAS 768-91-2)

1-Methyladamantane

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InChI
InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChI Key
UZUCFTVAWGRMTQ-UHFFFAOYSA-N
Formula
C11H18
SMILES
CC12CC3CC(CC(C3)C1)C2
Molecular Weight1
150.26
CAS
768-91-2

Physical Properties

Property Value Unit Source
Δcsolid [-6663.80; -6658.00] kJ/mol Show Hide
Δcsolid -6663.80 ± 1.30 kJ/mol NIST
Δcsolid -6658.00 ± 2.00 kJ/mol NIST
Δf 198.69 kJ/mol Joback Calculated Property
Δfgas [-171.70; -171.50] kJ/mol Show Hide
Δfgas -171.70 ± 2.60 kJ/mol NIST
Δfgas -171.50 ± 2.90 kJ/mol NIST
Δfsolid [-243.00; -237.30] kJ/mol Show Hide
Δfsolid -237.30 ± 1.30 kJ/mol NIST
Δfsolid -243.00 ± 2.00 kJ/mol NIST
Δfus 11.32 kJ/mol Joback Calculated Property
Δsub [65.60; 71.50] kJ/mol Show Hide
Δsub 67.57 kJ/mol NIST
Δsub 65.60 kJ/mol NIST
Δsub 68.00 ± 1.00 kJ/mol NIST
Δsub 71.50 kJ/mol NIST
Δsub 67.80 ± 1.30 kJ/mol NIST
Δvap 38.53 kJ/mol Joback Calculated Property
IE [9.17; 9.24] eV Show Hide
IE 9.17 ± 0.02 eV NIST
IE 9.24 eV NIST
log10WS -3.14 Crippen Calculated Property
logPoct/wat 3.223 Crippen Calculated Property
McVol 133.270 ml/mol McGowan Calculated Property
Pc 2931.34 kPa Joback Calculated Property
Inp [1100.00; 1179.00]   Show Hide
Inp 1171.00 NIST
Inp 1140.00 NIST
Inp 1115.30 NIST
Inp 1118.00 NIST
Inp 1124.00 NIST
Inp 1128.00 NIST
Inp 1134.00 NIST
Inp 1137.00 NIST
Inp 1110.00 NIST
Inp 1116.00 NIST
Inp 1125.00 NIST
Inp 1135.00 NIST
Inp 1124.00 NIST
Inp 1128.00 NIST
Inp 1134.00 NIST
Inp 1110.00 NIST
Inp 1162.00 NIST
Inp Outlier 1179.00 NIST
Inp 1116.00 NIST
Inp 1125.00 NIST
Inp 1135.00 NIST
Inp 1137.00 NIST
Inp 1151.00 NIST
Inp 1162.00 NIST
Inp 1171.00 NIST
Inp 1100.00 NIST
Inp 1137.00 NIST
Inp 1137.00 NIST
Inp 1137.00 NIST
Inp 1171.00 NIST
Inp 1128.00 NIST
Inp 1125.00 NIST
Inp 1110.00 NIST
Inp 1135.00 NIST
I [1313.00; 1348.00]   Show Hide
I 1315.00 NIST
I 1313.00 NIST
I 1325.00 NIST
I 1348.00 NIST
Tboil 471.14 K Joback Calculated Property
Tc 691.15 K Joback Calculated Property
Tfus 392.00 ± 3.71 K NIST
Vc 0.511 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [319.89; 428.81] J/mol×K [471.14; 691.15] Show Hide
Cp,gas 319.89 J/mol×K 471.14 Joback Calculated Property
Cp,gas 341.86 J/mol×K 507.81 Joback Calculated Property
Cp,gas 362.04 J/mol×K 544.48 Joback Calculated Property
Cp,gas 380.64 J/mol×K 581.14 Joback Calculated Property
Cp,gas 397.83 J/mol×K 617.81 Joback Calculated Property
Cp,gas 413.83 J/mol×K 654.48 Joback Calculated Property
Cp,gas 428.81 J/mol×K 691.15 Joback Calculated Property
ΔfusH [1.47; 3.71] kJ/mol [169.50; 392.00] Show Hide
ΔfusH 1.91 kJ/mol 169.50 NIST
ΔfusH 1.47 kJ/mol 211.50 NIST
ΔfusH 3.71 kJ/mol 392.00 NIST
ΔfusH 3.71 kJ/mol 392.00 NIST
ΔsubH 67.60 ± 0.50 kJ/mol 321.00 NIST
ΔfusS [6.95; 11.27] J/mol×K [169.50; 392.00] Show Hide
ΔfusS 11.27 J/mol×K 169.50 NIST
ΔfusS 6.95 J/mol×K 211.50 NIST
ΔfusS 9.46 J/mol×K 392.00 NIST

Similar Compounds

5-methyl-adamantane. Adamantane, 1,3-dimethyl-. 1,3,5-Trimethyladamantane. 1-Methyl-3-ethyladamantane. Cyclohexane, 1,1,3,5-tetramethyl-, trans-. 1,1,3,5-Tetramethylcyclohexane. Cyclohexane, 1,1,3,5-tetramethyl-, cis-. 1-n-butyladamantane. 1-propyladamantane. 1,3-Diethyladamantane. 1,3-diethyl-5-methyladamantane. 1,3-Dimethyl-5-ethyladamantane. 1-Ethyladamantane. Cyclohexane, 1,1,3-trimethyl-. 3-Methyldiadamantane.

Find more compounds similar to 1-Methyladamantane.

Sources

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