Chemical Properties of 2,3,4-Trimethyl-1-pentanol (CAS 6570-88-3)

2,3,4-Trimethyl-1-pentanol

InChI
InChI=1S/C8H18O/c1-6(2)8(4)7(3)5-9/h6-9H,5H2,1-4H3
InChI Key
PAZDSSMTPLLLIR-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CC(C)C(C)C(C)CO
Molecular Weight1
130.23
CAS
6570-88-3
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Physical Properties

Property Value Unit Source
ω 0.5716 Relay (1.0) Calculated Property
ΔfG° -127.66 kJ/mol Joback Calculated Property
ΔfH°gas -375.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 9.99 kJ/mol Joback Calculated Property
ΔvapH° 67.21 kJ/mol Relay (1.0) Calculated Property
IE 9.39 eV Relay (1.0) Calculated Property
log10WS -2.12 Relay (1.0) Calculated Property
logPoct/wat 1.907 Crippen Calculated Property
McVol 129.450 ml/mol McGowan Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 446.98 K Relay (1.0) Calculated Property
Tc 640.57 K Relay (1.0) Calculated Property
Tfus 208.82 K Relay (1.0) Calculated Property
Vc 0.436 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [186.75; 452.34] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.13900e+00
Coefficient B8.15580e-01
Coefficient C-4.51400e-04
Coefficient D9.23000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 186.75 J/mol×K 273.00 Calculated Property
Cp,gas 231.99 J/mol×K 353.78 Calculated Property
Cp,gas 272.61 J/mol×K 434.56 Calculated Property
Cp,gas 308.91 J/mol×K 515.33 Calculated Property
Cp,gas 341.18 J/mol×K 596.11 Calculated Property
Cp,gas 369.72 J/mol×K 676.89 Calculated Property
Cp,gas 394.81 J/mol×K 757.67 Calculated Property
Cp,gas 416.75 J/mol×K 838.44 Calculated Property
Cp,gas 435.83 J/mol×K 919.22 Calculated Property
Cp,gas 452.34 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.9006667; 0.0002098] Pa×s [195.74; 450.21] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.49037e+01
Coefficient B2.89677e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.195.74
Temperature range, max.450.21
η 0.9006667 Pa×s 195.74 Calculated Property
η 0.1391038 Pa×s 224.01 Calculated Property
η 0.0326548 Pa×s 252.29 Calculated Property
η 0.0102663 Pa×s 280.56 Calculated Property
η 0.0039893 Pa×s 308.84 Calculated Property
η 0.0018165 Pa×s 337.11 Calculated Property
η 0.0009342 Pa×s 365.39 Calculated Property
η 0.0005286 Pa×s 393.66 Calculated Property
η 0.0003229 Pa×s 421.94 Calculated Property
η 0.0002098 Pa×s 450.21 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [339.91; 467.03] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.87397e+01
Coefficient B-6.26934e+03
Coefficient C-1.50000e-01
Temperature range, min.339.91
Temperature range, max.467.03
Pvap 1.33 kPa 339.91 Calculated Property
Pvap 2.78 kPa 354.03 Calculated Property
Pvap 5.49 kPa 368.16 Calculated Property
Pvap 10.31 kPa 382.28 Calculated Property
Pvap 18.51 kPa 396.41 Calculated Property
Pvap 31.91 kPa 410.53 Calculated Property
Pvap 53.05 kPa 424.66 Calculated Property
Pvap 85.35 kPa 438.78 Calculated Property
Pvap 133.30 kPa 452.91 Calculated Property
Pvap 202.66 kPa 467.03 Calculated Property

Similar Compounds

1-Pentanol, 2,3-dimethyl-. Cyclohexaneethanol, «beta»-methyl-. Cyclohexaneethanol, «beta»,4-dimethyl-, cis-. Cyclohexaneethanol, «beta»,4-dimethyl-, trans-. 2,4-dimethyl-1-pentanol. 1-Hexanol, 5-methyl-2-(1-methylethyl)-. Tetrahydrolavandulol. 1-Pentanol, 2-methyl-. 2-Ethyl-4-methyl-1-pentanol. TRANS-(2-ETHYLCYCLOPENTYL)METHANOL. (3aRS,4SR,7aSR)-(Octahydro-1H-inden-4-yl) methanol. (3aRS,4SR,7aRS)-(Octahydro-1H-inden-4-yl) methanol. 2-methyl-1-hexanol. (3aRS,4RS,7aSR)-(Octahydro-1H-inden-4-yl) methanol. Bicyclo[2.2.1]heptane-2-methanol.

Find more compounds similar to 2,3,4-Trimethyl-1-pentanol.

Sources

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