Chemical Properties of Cyclohexene, 1-methyl- (CAS 591-49-1)

Cyclohexene, 1-methyl-

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InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChI Key
CTMHWPIWNRWQEG-UHFFFAOYSA-N
Formula
C7H12
SMILES
CC1=CCCCC1
Molecular Weight1
96.17
CAS
591-49-1
Other Names
  • 1-METHYL-1-CYCLOHEXENE
  • 1-Methylcyclohex-1-ene
  • 1-Methylcyclohexene
  • 1-Methylcyclohexene-1
  • «alpha»-Methylcyclohexene
  • «alpha»-Methylcyclohexene
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Physical Properties

Property Value Unit Source
PAff 825.10 kJ/mol NIST
BasG 792.60 kJ/mol NIST
Δcliquid [-4388.39; -4381.90] kJ/mol Show Hide
Δcliquid -4388.39 ± 0.67 kJ/mol NIST
Δcliquid -4381.90 kJ/mol NIST
Δf 60.55 kJ/mol Joback Calculated Property
Δfgas -81.25 ± 0.79 kJ/mol NIST
Δfus 5.48 kJ/mol Joback Calculated Property
Δvap [37.50; 37.80] kJ/mol Show Hide
Δvap 37.50 ± 0.20 kJ/mol NIST
Δvap 37.80 kJ/mol NIST
IE [8.67; 8.69] eV Show Hide
IE 8.67 ± 0.02 eV NIST
IE 8.67 ± 0.02 eV NIST
IE 8.69 ± 0.05 eV NIST
log10WS [-3.27; -3.27]   Show Hide
log10WS -3.27 Aq. Sol...
log10WS -3.27 Estimat...
logPoct/wat 2.507 Crippen Calculated Property
McVol 94.330 ml/mol McGowan Calculated Property
Pc 3569.00 kPa KDB
Inp [757.00; 816.00]   Show Hide
Inp 776.00 NIST
Inp 771.00 NIST
Inp 771.50 NIST
Inp 768.50 NIST
Inp 785.30 NIST
Inp 780.40 NIST
Inp 776.00 NIST
Inp 772.00 NIST
Inp 776.00 NIST
Inp 771.00 NIST
Inp 763.00 NIST
Inp 763.00 NIST
Inp 784.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 766.40 NIST
Inp Outlier 794.00 NIST
Inp 761.70 NIST
Inp 766.00 NIST
Inp 758.00 NIST
Inp 763.00 NIST
Inp 765.00 NIST
Inp 766.00 NIST
Inp 769.00 NIST
Inp 773.00 NIST
Inp 768.00 NIST
Inp Outlier 800.00 NIST
Inp Outlier 808.00 NIST
Inp 758.50 NIST
Inp 764.30 NIST
Inp 769.30 NIST
Inp 758.00 NIST
Inp 765.00 NIST
Inp 769.00 NIST
Inp 771.00 NIST
Inp 757.00 NIST
Inp 763.00 NIST
Inp 766.00 NIST
Inp 770.00 NIST
Inp 781.00 NIST
Inp 766.00 NIST
Inp 769.00 NIST
Inp Outlier 807.00 NIST
Inp Outlier 816.00 NIST
Inp 758.00 NIST
Inp 763.90 NIST
Inp 765.30 NIST
Inp 766.40 NIST
Inp 772.90 NIST
Inp 763.90 NIST
Inp 765.30 NIST
Inp 766.40 NIST
Inp 760.00 NIST
Inp 773.00 NIST
Inp 758.00 NIST
Inp 765.00 NIST
Inp 763.00 NIST
Inp 763.00 NIST
Inp 766.00 NIST
Inp 764.00 NIST
Inp 767.00 NIST
Inp 760.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 766.00 NIST
Inp 766.00 NIST
Inp 766.00 NIST
Inp 773.00 NIST
Inp 779.00 NIST
Inp 772.00 NIST
Inp 779.00 NIST
Inp 772.00 NIST
Inp 758.00 NIST
I [900.00; 932.00]   Show Hide
I 932.00 NIST
I 915.00 NIST
I 923.00 NIST
I 909.00 NIST
I 906.00 NIST
I 932.00 NIST
I 931.70 NIST
I 914.90 NIST
I 923.10 NIST
I 931.70 NIST
I 914.90 NIST
I 923.10 NIST
I 909.00 NIST
I 900.00 NIST
I 932.00 NIST
I 914.90 NIST
I 900.00 NIST
Tboil [376.00; 385.00] K Show Hide
Tboil 383.20 K KDB
Tboil 383.50 K NIST
Tboil 382.00 ± 1.00 K NIST
Tboil 381.00 ± 2.00 K NIST
Tboil 383.47 ± 0.30 K NIST
Tboil 383.40 ± 0.60 K NIST
Tboil 383.00 ± 2.00 K NIST
Tboil 381.90 ± 3.00 K NIST
Tboil 381.00 ± 4.00 K NIST
Tboil 382.00 ± 4.00 K NIST
Tboil 383.50 ± 1.00 K NIST
Tboil 383.45 ± 0.80 K NIST
Tboil 382.30 ± 0.60 K NIST
Tboil 384.00 ± 2.00 K NIST
Tboil 383.50 ± 0.50 K NIST
Tboil 383.45 ± 0.50 K NIST
Tboil 383.00 ± 4.00 K NIST
Tboil 385.00 ± 3.00 K NIST
Tboil 378.00 ± 4.00 K NIST
Tboil Outlier 376.00 ± 16.00 K NIST
Tboil 378.00 ± 5.00 K NIST
Tboil 382.00 ± 6.00 K NIST
Tc 584.20 K KDB
Tfus [152.15; 152.87] K Show Hide
Tfus 152.20 K KDB
Tfus 152.87 K Aq. Sol...
Tfus 152.71 ± 0.04 K NIST
Tfus 152.75 ± 0.03 K NIST
Tfus 152.70 ± 0.05 K NIST
Tfus 152.20 ± 0.50 K NIST
Tfus 152.15 ± 1.00 K NIST
Vc 0.354 m3/kmol KDB
Zc 0.2598130 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [162.31; 237.03] J/mol×K [387.92; 594.92] Show Hide
Cp,gas 162.31 J/mol×K 387.92 Joback Calculated Property
Cp,gas 176.48 J/mol×K 422.42 Joback Calculated Property
Cp,gas 189.93 J/mol×K 456.92 Joback Calculated Property
Cp,gas 202.69 J/mol×K 491.42 Joback Calculated Property
Cp,gas 214.78 J/mol×K 525.92 Joback Calculated Property
Cp,gas 226.22 J/mol×K 560.42 Joback Calculated Property
Cp,gas 237.03 J/mol×K 594.92 Joback Calculated Property
η [0.0002593; 0.0057112] Pa×s [193.55; 387.92] Show Hide
η 0.0057112 Pa×s 193.55 Joback Calculated Property
η 0.0023575 Pa×s 225.94 Joback Calculated Property
η 0.0012149 Pa×s 258.34 Joback Calculated Property
η 0.0007258 Pa×s 290.74 Joback Calculated Property
η 0.0004807 Pa×s 323.13 Joback Calculated Property
η 0.0003433 Pa×s 355.52 Joback Calculated Property
η 0.0002593 Pa×s 387.92 Joback Calculated Property
ΔvapH [35.70; 37.70] kJ/mol [294.00; 358.50] Show Hide
ΔvapH 37.70 ± 0.20 kJ/mol 294.00 NIST
ΔvapH 36.70 kJ/mol 346.50 NIST
ΔvapH 35.70 kJ/mol 358.50 NIST
ρl 807.84 kg/m3 293.10 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [278.77; 408.03] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40387e+01
Coefficient B-3.08782e+03
Coefficient C-5.42180e+01
Temperature range, min.278.77
Temperature range, max.408.03
Pvap 1.33 kPa 278.77 Calculated Property
Pvap 3.05 kPa 293.13 Calculated Property
Pvap 6.34 kPa 307.49 Calculated Property
Pvap 12.20 kPa 321.86 Calculated Property
Pvap 21.95 kPa 336.22 Calculated Property
Pvap 37.32 kPa 350.58 Calculated Property
Pvap 60.41 kPa 364.94 Calculated Property
Pvap 93.71 kPa 379.31 Calculated Property
Pvap 140.07 kPa 393.67 Calculated Property
Pvap 202.63 kPa 408.03 Calculated Property
Pvap [19.00; 103.32] kPa [333.15; 384.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.21289e+01
Coefficient B-7.17350e+03
Coefficient C-1.00656e+01
Coefficient D7.33952e-06
Temperature range, min.333.15
Temperature range, max.384.15
Pvap 19.00 kPa 333.15 Calculated Property
Pvap 23.63 kPa 338.82 Calculated Property
Pvap 29.15 kPa 344.48 Calculated Property
Pvap 35.66 kPa 350.15 Calculated Property
Pvap 43.30 kPa 355.82 Calculated Property
Pvap 52.20 kPa 361.48 Calculated Property
Pvap 62.49 kPa 367.15 Calculated Property
Pvap 74.34 kPa 372.82 Calculated Property
Pvap 87.89 kPa 378.48 Calculated Property
Pvap 103.32 kPa 384.15 Calculated Property

Similar Compounds

cis-Cyclodecene, 1-methyl-. trans-Cycloundecene, 1-methyl-. Cyclononene, 1-methyl. (E) 1-Methyl-1-cyclooctene. Cyclododecene, 1-methyl-. Cyclodecene, 1-methyl-. (E)-Cyclododecene, 1-methyl. (Z)-Cyclododecene, 1-methyl. Cycloundecene, 1-methyl-. trans-Cyclodecene, 1-methyl-. 1-Methylcyclooctene. 1-Methylcycloheptene. 6-Tridecene, 7-methyl-. Cyclohexene,1-propyl-. 4-Undecene, 5-methyl-.

Find more compounds similar to Cyclohexene, 1-methyl-.

Sources

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