Chemical Properties of 1-Butanol, 3,3-dimethyl- (CAS 624-95-3)

1-Butanol, 3,3-dimethyl-

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InChI
InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
InChI Key
DUXCSEISVMREAX-UHFFFAOYSA-N
Formula
C6H14O
SMILES
CC(C)(C)CCO
Molecular Weight1
102.17
CAS
624-95-3
Other Names
  • 3,3-Dimethyl-1-butanol
  • 3,3-dimethylbutan-1-ol
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Physical Properties

Property Value Unit Source
Δf -134.34 kJ/mol Joback Calculated Property
Δfgas -328.15 kJ/mol Joback Calculated Property
Δfus 7.97 kJ/mol Joback Calculated Property
Δvap 58.00 ± 0.20 kJ/mol NIST
log10WS [-0.50; -0.50]   Show Hide
log10WS -0.50 Aq. Sol...
log10WS -0.50 Estimat...
logPoct/wat 1.415 Crippen Calculated Property
McVol 101.270 ml/mol McGowan Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Inp [779.00; 816.70]   Show Hide
Inp 815.50 NIST
Inp 816.70 NIST
Inp 796.00 NIST
Inp 779.00 NIST
Inp 779.00 NIST
Inp 779.00 NIST
I [1249.00; 1276.00]   Show Hide
I 1276.00 NIST
I 1276.00 NIST
I 1249.00 NIST
I 1249.00 NIST
Tboil [412.15; 416.20] K Show Hide
Tboil 416.20 K NIST
Tboil 415.65 ± 3.00 K NIST
Tboil Outlier 412.15 ± 4.00 K NIST
Tboil 416.00 ± 2.00 K NIST
Tboil 414.15 ± 2.00 K NIST
Tboil 414.65 ± 2.00 K NIST
Tboil 416.15 ± 2.00 K NIST
Tboil 414.15 ± 2.00 K NIST
Tboil 414.65 ± 2.00 K NIST
Tboil 414.15 ± 2.00 K NIST
Tc 596.64 K Joback Calculated Property
Tfus 220.62 K Joback Calculated Property
Vc 0.380 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [210.01; 266.42] J/mol×K [425.63; 596.64] Show Hide
Cp,gas 210.01 J/mol×K 425.63 Joback Calculated Property
Cp,gas 220.61 J/mol×K 454.13 Joback Calculated Property
Cp,gas 230.71 J/mol×K 482.63 Joback Calculated Property
Cp,gas 240.32 J/mol×K 511.13 Joback Calculated Property
Cp,gas 249.46 J/mol×K 539.64 Joback Calculated Property
Cp,gas 258.15 J/mol×K 568.14 Joback Calculated Property
Cp,gas 266.42 J/mol×K 596.64 Joback Calculated Property
Cp,liquid 236.08 J/mol×K 298.15 NIST
η [0.0002697; 0.1316325] Pa×s [220.62; 425.63] Show Hide
η 0.1316325 Pa×s 220.62 Joback Calculated Property
η 0.0234865 Pa×s 254.79 Joback Calculated Property
η 0.0062994 Pa×s 288.96 Joback Calculated Property
η 0.0022318 Pa×s 323.12 Joback Calculated Property
η 0.0009643 Pa×s 357.29 Joback Calculated Property
η 0.0004823 Pa×s 391.46 Joback Calculated Property
η 0.0002697 Pa×s 425.63 Joback Calculated Property
ΔfusH 9.54 kJ/mol 235.70 NIST
ΔvapH [49.40; 58.60] kJ/mol [328.00; 385.00] Show Hide
ΔvapH 58.60 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 55.40 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 52.40 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 50.80 kJ/mol 371.50 NIST
ΔvapH 49.40 kJ/mol 385.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [316.24; 412.10] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.83028e+01
Coefficient B-4.46569e+03
Coefficient C-6.83540e+01
Temperature range, min.316.24
Temperature range, max.412.10
Pvap 1.33 kPa 316.24 Calculated Property
Pvap 2.80 kPa 326.89 Calculated Property
Pvap 5.55 kPa 337.54 Calculated Property
Pvap 10.43 kPa 348.19 Calculated Property
Pvap 18.72 kPa 358.84 Calculated Property
Pvap 32.25 kPa 369.50 Calculated Property
Pvap 53.53 kPa 380.15 Calculated Property
Pvap 85.91 kPa 390.80 Calculated Property
Pvap 133.77 kPa 401.45 Calculated Property
Pvap 202.66 kPa 412.10 Calculated Property

Similar Compounds

1-Butanol, 3-methyl-. 2-Pentanol, 4,4-dimethyl-. 1-Butanol, 2,2-dimethyl-. 1-Adamantaneethanol. (S)-(+)-3-Methyl-1-pentanol. 1-Pentanol, 3-methyl-, (.+/-.)-. 1-Pentanol, 3-methyl-. 1,5-Pentanediol, 3-methyl-. 1-Hexanol, 3,5,5-trimethyl-. 4,4-dimethyl-1-pentanol. 3-Mercapto-3-methyl-1-butanol. 3-Mercapto-3-methylbutanol. 1,2-Butanediol, 3,3-dimethyl-. 1-Pentanol, 3,4-dimethyl-. 1,4-Butanediol, 2-methyl-.

Find more compounds similar to 1-Butanol, 3,3-dimethyl-.

Sources

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