Chemical Properties of Cyclohexane, 1,3-dimethyl-, trans- (CAS 2207-03-6)

Cyclohexane, 1,3-dimethyl-, trans-

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InChI
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key
SGVUHPSBDNVHKL-YUMQZZPRSA-N
Formula
C8H16
SMILES
CC1CCCC(C)C1
Molecular Weight1
112.21
CAS
2207-03-6
Other Names
  • 1,3(trans)-dimethylcyclohexane
  • 1,3-Dimethyl(trans)-cyclohexane
  • 1,3-Dimethylcyclohexane, trans
  • 1,TRANS-3-DIMETHYLCYCLOHEXANE
  • Cyclohexane, trans-1,3-dimethyl-
  • TRANS-1,3-DIMETHYLCYCLOHEXANE
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Physical Properties

Property Value Unit Source
ω 0.1890 KDB
AP 319.450 K KDB
Δcliquid -5219.00 ± 1.70 kJ/mol NIST
Δf 36.34 kJ/mol KDB
Δc,grossH 5219.04 kJ/mol KDB
Δc,netH 4866.954 kJ/mol KDB
Δfgas -176.70 kJ/mol KDB
Δfus 9.38 kJ/mol Joback Calculated Property
Δvap [39.10; 39.21] kJ/mol Show Hide
Δvap 39.21 kJ/mol NIST
Δvap 39.10 kJ/mol NIST
Δvap 39.20 kJ/mol NIST
Δvap 39.20 ± 0.10 kJ/mol NIST
Δvap 39.19 kJ/mol NIST
IE [9.52; 9.89] eV Show Hide
IE 9.53 eV NIST
IE 9.52 ± 0.05 eV NIST
IE 9.53 eV NIST
IE 9.89 ± 0.05 eV NIST
log10WS -2.58 Crippen Calculated Property
logPoct/wat 2.833 Crippen Calculated Property
McVol 112.720 ml/mol McGowan Calculated Property
Pc 2970.00 kPa KDB
Inp [783.00; 836.00]   Show Hide
Inp 802.60 NIST
Inp 810.80 NIST
Inp 803.90 NIST
Inp 804.10 NIST
Inp 804.20 NIST
Inp 804.30 NIST
Inp 804.10 NIST
Inp 805.60 NIST
Inp 810.80 NIST
Inp 813.00 NIST
Inp 804.90 NIST
Inp 804.60 NIST
Inp 809.80 NIST
Inp 805.40 NIST
Inp 803.90 NIST
Inp 804.30 NIST
Inp Outlier 783.00 NIST
Inp 805.30 NIST
Inp 810.50 NIST
Inp 813.10 NIST
Inp 813.10 NIST
Inp 822.00 NIST
Inp Outlier 829.00 NIST
Inp Outlier 833.00 NIST
Inp Outlier 836.00 NIST
Inp 806.00 NIST
Inp 811.00 NIST
Inp 802.00 NIST
Inp 807.00 NIST
Inp 808.00 NIST
Inp 811.00 NIST
Inp 814.00 NIST
Inp 805.50 NIST
Inp 802.00 NIST
Inp 823.00 NIST
Inp 806.00 NIST
Inp 810.00 NIST
Inp 798.00 NIST
Inp 808.84 NIST
Inp 823.00 NIST
Inp 798.70 NIST
Inp 798.00 NIST
Inp 802.80 NIST
Inp 804.10 NIST
Inp 805.30 NIST
Inp 806.20 NIST
Inp 802.20 NIST
Inp 804.10 NIST
Inp 805.30 NIST
Inp 806.20 NIST
Inp 800.00 NIST
Inp 806.00 NIST
Inp 806.00 NIST
Inp 805.60 NIST
Inp 807.60 NIST
Inp 810.60 NIST
Inp 813.00 NIST
Inp 814.90 NIST
Inp 816.60 NIST
Inp 806.00 NIST
Inp 799.00 NIST
Inp Outlier 783.00 NIST
I 843.00 NIST
gas 376.39 J/mol×K NIST
liquid 276.27 J/mol×K NIST
Tboil 397.60 K KDB
Tc 598.00 K KDB
Tfus [179.76; 406.83] K Show Hide
Tfus 183.00 K KDB
Tfus 406.83 ± 0.06 K NIST
Tfus 179.76 ± 0.02 K NIST
Tfus 196.45 ± 0.50 K NIST
Ttriple [183.03; 183.06] K Show Hide
Ttriple 183.06 ± 0.02 K NIST
Ttriple 183.03 ± 0.05 K NIST
Ttriple 183.06 ± 0.02 K NIST
Vc 0.415 m3/kmol KDB
Zc 0.2481930 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [212.54; 307.47] J/mol×K [397.32; 597.67] Show Hide
Cp,gas 212.54 J/mol×K 397.32 Joback Calculated Property
Cp,gas 230.28 J/mol×K 430.71 Joback Calculated Property
Cp,gas 247.23 J/mol×K 464.10 Joback Calculated Property
Cp,gas 263.41 J/mol×K 497.49 Joback Calculated Property
Cp,gas 278.84 J/mol×K 530.89 Joback Calculated Property
Cp,gas 293.52 J/mol×K 564.28 Joback Calculated Property
Cp,gas 307.47 J/mol×K 597.67 Joback Calculated Property
Cp,liquid 212.84 J/mol×K 298.15 NIST
η [0.0002631; 0.0041986] Pa×s [183.06; 397.32] Show Hide
η 0.0041986 Pa×s 183.06 Joback Calculated Property
η 0.0018154 Pa×s 218.77 Joback Calculated Property
η 0.0009932 Pa×s 254.48 Joback Calculated Property
η 0.0006303 Pa×s 290.19 Joback Calculated Property
η 0.0004419 Pa×s 325.90 Joback Calculated Property
η 0.0003324 Pa×s 361.61 Joback Calculated Property
η 0.0002631 Pa×s 397.32 Joback Calculated Property
ΔfusH [9.87; 9.87] kJ/mol [183.06; 183.10] Show Hide
ΔfusH 9.87 kJ/mol 183.06 NIST
ΔfusH 9.87 kJ/mol 183.10 NIST
ΔfusH 9.87 kJ/mol 183.10 NIST
ΔvapH [33.39; 37.90] kJ/mol [354.00; 397.60] Show Hide
ΔvapH 37.40 kJ/mol 354.00 NIST
ΔvapH 37.90 kJ/mol 357.00 NIST
ΔvapH 33.85 kJ/mol 397.60 KDB
ΔvapH 33.39 kJ/mol 397.60 NIST
n0 1.42843 298.15 KDB
ρl 785.00 kg/m3 293.00 KDB
ΔfusS 53.89 J/mol×K 183.06 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [286.07; 423.77] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39936e+01
Coefficient B-3.26162e+03
Coefficient C-4.81030e+01
Temperature range, min.286.07
Temperature range, max.423.77
Pvap 1.33 kPa 286.07 Calculated Property
Pvap 3.05 kPa 301.37 Calculated Property
Pvap 6.35 kPa 316.67 Calculated Property
Pvap 12.23 kPa 331.97 Calculated Property
Pvap 22.00 kPa 347.27 Calculated Property
Pvap 37.40 kPa 362.57 Calculated Property
Pvap 60.52 kPa 377.87 Calculated Property
Pvap 93.83 kPa 393.17 Calculated Property
Pvap 140.16 kPa 408.47 Calculated Property
Pvap 202.63 kPa 423.77 Calculated Property
Pvap [4.22e-05; 2937.30] kPa [183.05; 598.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.23828e+01
Coefficient B-7.02468e+03
Coefficient C-8.49035e+00
Coefficient D4.56712e-06
Temperature range, min.183.05
Temperature range, max.598.00
Pvap 4.22e-05 kPa 183.05 Calculated Property
Pvap 0.02 kPa 229.16 Calculated Property
Pvap 0.61 kPa 275.26 Calculated Property
Pvap 7.28 kPa 321.37 Calculated Property
Pvap 41.84 kPa 367.47 Calculated Property
Pvap 152.29 kPa 413.58 Calculated Property
Pvap 409.90 kPa 459.68 Calculated Property
Pvap 898.46 kPa 505.79 Calculated Property
Pvap 1707.84 kPa 551.89 Calculated Property
Pvap 2937.30 kPa 598.00 Calculated Property

Similar Compounds

Cyclohexane, 1,3-dimethyl-, cis-. Cyclohexane, 1,3-dimethyl-. trans-1,3-Dimethylcyclooctane. cis-1,3-Dimethylcyclooctane. Cyclohexane, 1-(cyclohexylmethyl)-3-methyl-, cis-. Cyclohexane, 1,1'-(2-methyl-1,3-propanediyl)bis-. Cyclohexane, (2-methylpropyl)-. Cyclohexane, 1-(cyclohexylmethyl)-3-methyl-, trans-. cis-1,3-Dimethylcycloheptane. Heptane, 2,4-dimethyl-. trans-1,3-Dimethylcycloheptane. Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, trans-. Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, cis-. 2,4-dimethylnonane. 2,4-Dimethyldodecane.

Find more compounds similar to Cyclohexane, 1,3-dimethyl-, trans-.

Sources

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

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