Chemical Properties of 4-Heptanol, 2,4,6-trimethyl- (CAS 60836-07-9)

4-Heptanol, 2,4,6-trimethyl-

InChI
InChI=1S/C10H22O/c1-8(2)6-10(5,11)7-9(3)4/h8-9,11H,6-7H2,1-5H3
InChI Key
QSVYJSJPLCSACO-UHFFFAOYSA-N
Formula
C10H22O
SMILES
CC(C)CC(C)(O)CC(C)C
Molecular Weight1
158.28
CAS
60836-07-9
Other Names
  • 2,4,6-Trimethyl-4-heptanol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6212 Relay (1.0) Calculated Property
ΔfG° -105.54 kJ/mol Joback Calculated Property
ΔfH°gas -456.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.28 kJ/mol Joback Calculated Property
ΔvapH° 63.91 kJ/mol Relay (1.0) Calculated Property
IE 9.34 eV Relay (1.0) Calculated Property
log10WS -2.84 Relay (1.0) Calculated Property
logPoct/wat 2.830 Crippen Calculated Property
McVol 157.630 ml/mol McGowan Calculated Property
Pc 2377.22 kPa Joback Calculated Property
Tboil 455.79 K Relay (1.0) Calculated Property
Tc 635.38 K Relay (1.0) Calculated Property
Tfus 276.83 K Relay (1.0) Calculated Property
Vc 0.574 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 454.20 K 100.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [228.03; 556.45] 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-2.87480e+01
Coefficient B1.12550e+00
Coefficient C-7.28800e-04
Coefficient D1.88500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 228.03 J/mol×K 273.00 Calculated Property
Cp,gas 286.56 J/mol×K 353.78 Calculated Property
Cp,gas 338.19 J/mol×K 434.56 Calculated Property
Cp,gas 383.51 J/mol×K 515.33 Calculated Property
Cp,gas 423.13 J/mol×K 596.11 Calculated Property
Cp,gas 457.63 J/mol×K 676.89 Calculated Property
Cp,gas 487.62 J/mol×K 757.67 Calculated Property
Cp,gas 513.69 J/mol×K 838.44 Calculated Property
Cp,gas 536.43 J/mol×K 919.22 Calculated Property
Cp,gas 556.45 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.2106679; 0.0001672] Pa×s [235.70; 482.75] 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-1.55066e+01
Coefficient B3.28781e+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.235.70
Temperature range, max.482.75
η 0.2106679 Pa×s 235.70 Calculated Property
η 0.0491660 Pa×s 263.15 Calculated Property
η 0.0151048 Pa×s 290.60 Calculated Property
η 0.0056891 Pa×s 318.05 Calculated Property
η 0.0025024 Pa×s 345.50 Calculated Property
η 0.0012421 Pa×s 372.95 Calculated Property
η 0.0006787 Pa×s 400.40 Calculated Property
η 0.0004008 Pa×s 427.85 Calculated Property
η 0.0002522 Pa×s 455.30 Calculated Property
η 0.0001672 Pa×s 482.75 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [351.12; 479.40] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.64121e+01
Coefficient B-4.57030e+03
Coefficient C-6.76820e+01
Temperature range, min.351.12
Temperature range, max.479.40
Pvap 1.33 kPa 351.12 Calculated Property
Pvap 2.89 kPa 365.37 Calculated Property
Pvap 5.82 kPa 379.63 Calculated Property
Pvap 11.04 kPa 393.88 Calculated Property
Pvap 19.84 kPa 408.13 Calculated Property
Pvap 34.03 kPa 422.39 Calculated Property
Pvap 55.98 kPa 436.64 Calculated Property
Pvap 88.75 kPa 450.89 Calculated Property
Pvap 136.11 kPa 465.15 Calculated Property
Pvap 202.66 kPa 479.40 Calculated Property

Similar Compounds

4-Heptanol, 2,4-dimethyl-. 3-Hexanol, 3,5-dimethyl-. 3-Hexanol, 3,5-dimethyl-, (.+/-.)-. 4-Heptanol, 4-ethyl-2,6-dimethyl-. 4-Octanol, 2,4-dimethyl-. 3,5-Dimethyl-3-heptanol. 2-Pentanol, 2,4-dimethyl-. 1-Cyclohexyl-2-methyl-2-propanol. Adamantanol. TRICYCLO[3.3.1.1(3,7)]DECAN-1-OL. 3,5-DIMETHYL-1-ADAMANTANOL. 3-methyl-1-adamantanol. 1,3-Dimethylcyclopentanol. 4-Octanol, 4,7-dimethyl-. 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-.

Find more compounds similar to 4-Heptanol, 2,4,6-trimethyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.