Chemical Properties of 3-Pentanol, 2,4-dimethyl- (CAS 600-36-2)

3-Pentanol, 2,4-dimethyl-

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InChI
InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChI Key
BAYAKMPRFGNNFW-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CC(C)C(O)C(C)C
Molecular Weight1
116.20
CAS
600-36-2
Other Names
  • 2,4-Dimethyl-3-hydroxypentane
  • 2,4-Dimethyl-3-pentanol
  • 2,4-dimethylpentan-3-ol
  • Diisopropylcarbinol
  • Diisopropylmethanol

Physical Properties

Property Value Unit Source
Δf -136.08 kJ/mol Joback Calculated Property
Δfgas -355.88 kJ/mol Joback Calculated Property
Δfus 5.90 kJ/mol Calorim...
Δvap 46.69 kJ/mol Joback Calculated Property
log10WS [-1.22; -1.22]   Show Hide
log10WS -1.22 Aq. Sol...
log10WS -1.22 Estimat...
logPoct/wat 1.659 Crippen Calculated Property
McVol 115.360 ml/mol McGowan Calculated Property
Pc 3177.55 kPa Joback Calculated Property
Inp [132.11; 838.00]   Show Hide
Inp 820.00 NIST
Inp 831.00 NIST
Inp 827.00 NIST
Inp 838.00 NIST
Inp 828.00 NIST
Inp 821.00 NIST
Inp 828.00 NIST
Inp 821.00 NIST
Inp 821.00 NIST
Inp Outlier 132.11 NIST
Inp Outlier 132.11 NIST
I [1157.00; 1220.00]   Show Hide
I 1220.00 NIST
I 1157.00 NIST
I 1157.00 NIST
I 1187.00 NIST
I 1157.00 NIST
I 1220.00 NIST
Tboil [404.65; 418.15] K Show Hide
Tboil 411.90 K NIST
Tboil 408.15 ± 3.00 K NIST
Tboil 412.15 ± 3.00 K NIST
Tboil 410.65 ± 1.50 K NIST
Tboil 411.75 ± 1.00 K NIST
Tboil 412.65 ± 3.00 K NIST
Tboil 412.05 ± 1.00 K NIST
Tboil 409.65 ± 2.00 K NIST
Tboil 413.15 ± 3.00 K NIST
Tboil 411.80 ± 1.00 K NIST
Tboil 412.15 ± 3.00 K NIST
Tboil 409.15 ± 3.00 K NIST
Tboil 411.65 ± 3.00 K NIST
Tboil 412.15 ± 5.00 K NIST
Tboil Outlier 418.15 ± 5.00 K NIST
Tboil 410.65 ± 3.00 K NIST
Tboil 413.15 ± 3.00 K NIST
Tboil Outlier 404.65 ± 3.00 K NIST
Tc 621.17 K Joback Calculated Property
Tfus 260.70 K Calorim...
Vc 0.428 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [248.14; 310.46] J/mol×K [450.42; 621.17] Show Hide
Cp,gas 248.14 J/mol×K 450.42 Joback Calculated Property
Cp,gas 259.63 J/mol×K 478.88 Joback Calculated Property
Cp,gas 270.66 J/mol×K 507.34 Joback Calculated Property
Cp,gas 281.25 J/mol×K 535.79 Joback Calculated Property
Cp,gas 291.41 J/mol×K 564.25 Joback Calculated Property
Cp,gas 301.14 J/mol×K 592.71 Joback Calculated Property
Cp,gas 310.46 J/mol×K 621.17 Joback Calculated Property
Cp,liquid [282.60; 382.50] J/mol×K [261.40; 382.85] Show Hide
Cp,liquid 282.60 J/mol×K 261.40 Calorim...
Cp,liquid 284.40 J/mol×K 262.32 Calorim...
Cp,liquid 290.10 J/mol×K 265.00 Calorim...
Cp,liquid 290.10 J/mol×K 265.00 Calorim...
Cp,liquid 300.70 J/mol×K 270.00 Calorim...
Cp,liquid 300.80 J/mol×K 270.00 Calorim...
Cp,liquid 311.80 J/mol×K 275.00 Calorim...
Cp,liquid 312.00 J/mol×K 275.00 Calorim...
Cp,liquid 323.00 J/mol×K 280.00 Calorim...
Cp,liquid 322.90 J/mol×K 280.00 Calorim...
Cp,liquid 333.70 J/mol×K 285.00 Calorim...
Cp,liquid 333.70 J/mol×K 285.00 Calorim...
Cp,liquid 344.30 J/mol×K 290.00 Calorim...
Cp,liquid 344.20 J/mol×K 290.00 Calorim...
Cp,liquid 353.80 J/mol×K 295.00 Calorim...
Cp,liquid 353.80 J/mol×K 295.00 Calorim...
Cp,liquid 362.00 J/mol×K 300.00 Calorim...
Cp,liquid 361.90 J/mol×K 300.00 Calorim...
Cp,liquid 368.90 J/mol×K 305.00 Calorim...
Cp,liquid 369.00 J/mol×K 305.00 Calorim...
Cp,liquid 374.30 J/mol×K 310.00 Calorim...
Cp,liquid 374.40 J/mol×K 310.00 Calorim...
Cp,liquid 378.40 J/mol×K 315.00 Calorim...
Cp,liquid 378.30 J/mol×K 315.00 Calorim...
Cp,liquid 380.90 J/mol×K 320.00 Calorim...
Cp,liquid 380.90 J/mol×K 320.00 Calorim...
Cp,liquid 382.20 J/mol×K 325.00 Calorim...
Cp,liquid 382.40 J/mol×K 325.00 Calorim...
Cp,liquid 382.50 J/mol×K 330.00 Calorim...
Cp,liquid 382.30 J/mol×K 330.00 Calorim...
Cp,liquid 381.70 J/mol×K 335.00 Calorim...
Cp,liquid 380.90 J/mol×K 335.00 Calorim...
Cp,liquid 380.10 J/mol×K 340.00 Calorim...
Cp,liquid 378.70 J/mol×K 340.00 Calorim...
Cp,liquid 376.50 J/mol×K 345.00 Calorim...
Cp,liquid 378.50 J/mol×K 345.00 Calorim...
Cp,liquid 374.60 J/mol×K 350.00 Calorim...
Cp,liquid 376.90 J/mol×K 350.01 Calorim...
Cp,liquid 374.70 J/mol×K 355.00 Calorim...
Cp,liquid 372.70 J/mol×K 355.00 Calorim...
Cp,liquid 371.40 J/mol×K 360.00 Calorim...
Cp,liquid 372.30 J/mol×K 360.00 Calorim...
Cp,liquid 369.90 J/mol×K 365.00 Calorim...
Cp,liquid 369.20 J/mol×K 365.00 Calorim...
Cp,liquid 367.50 J/mol×K 370.00 Calorim...
Cp,liquid 366.90 J/mol×K 370.00 Calorim...
Cp,liquid 365.40 J/mol×K 375.00 Calorim...
Cp,liquid 365.00 J/mol×K 375.00 Calorim...
Cp,liquid 363.70 J/mol×K 380.00 Calorim...
Cp,liquid 362.20 J/mol×K 380.00 Calorim...
Cp,liquid 362.30 J/mol×K 382.59 Calorim...
Cp,liquid 362.80 J/mol×K 382.85 Calorim...
η [0.0001848; 1.4537054] Pa×s [184.47; 450.42] Show Hide
η 1.4537054 Pa×s 184.47 Joback Calculated Property
η 0.0765956 Pa×s 228.79 Joback Calculated Property
η 0.0104915 Pa×s 273.12 Joback Calculated Property
η 0.0025037 Pa×s 317.44 Joback Calculated Property
η 0.0008488 Pa×s 361.77 Joback Calculated Property
η 0.0003644 Pa×s 406.09 Joback Calculated Property
η 0.0001848 Pa×s 450.42 Joback Calculated Property
ΔvapH [45.70; 53.60] kJ/mol [328.00; 359.50] Show Hide
ΔvapH 51.80 kJ/mol 328.00 NIST
ΔvapH 48.80 kJ/mol 343.00 NIST
ΔvapH 45.70 kJ/mol 358.00 NIST
ΔvapH 53.60 kJ/mol 359.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [314.44; 433.82] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.58493e+01
Coefficient B-3.89667e+03
Coefficient C-6.40440e+01
Temperature range, min.314.44
Temperature range, max.433.82
Pvap 1.33 kPa 314.44 Calculated Property
Pvap 2.92 kPa 327.70 Calculated Property
Pvap 5.92 kPa 340.97 Calculated Property
Pvap 11.26 kPa 354.23 Calculated Property
Pvap 20.25 kPa 367.50 Calculated Property
Pvap 34.68 kPa 380.76 Calculated Property
Pvap 56.86 kPa 394.03 Calculated Property
Pvap 89.75 kPa 407.29 Calculated Property
Pvap 136.91 kPa 420.56 Calculated Property
Pvap 202.64 kPa 433.82 Calculated Property

Similar Compounds

3-Pentanol, 2-methyl-. 2,2,4-Trimethyl-3-pentanol. 3-Hexanol, 2-methyl-. 3-Hexanol, 2,4-dimethyl-. 2-Butanol, 3-methyl-. (R)-(-)-3-Methyl-2-butanol. 2-Butanol, 3-methyl-, (S)-. 4-Heptanol, 3,5-dimethyl-. 3-Hexanol, 2,5-dimethyl-. 3-Hexanol, 4-methyl-. 3-Pentanol, 2,3,4-trimethyl-. 3-Heptanol, 2-methyl-. 2-Pentanol, 3-methyl-. Threo-3-methylpentan-2-ol. 3-Pentanol, 2,2-dimethyl-.

Find more compounds similar to 3-Pentanol, 2,4-dimethyl-.

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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