Chemical Properties of 4-Heptanol (CAS 589-55-9)

4-Heptanol

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InChI
InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChI Key
YVBCULSIZWMTFY-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CCCC(O)CCC
Molecular Weight1
116.20
CAS
589-55-9
Other Names
  • CH3(CH2)2CHOH(CH2)2CH3
  • Dipropylcarbinol
  • Heptanol-4
  • di-n-Propylcarbinol
  • heptan-4-ol
  • n-Heptan-4-ol
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Physical Properties

Property Value Unit Source
Cp,liquid 306.77 J/mol×K Vapour ...
Δf -131.20 kJ/mol Joback Calculated Property
Δfgas -354.80 ± 2.10 kJ/mol NIST
Δfliquid -416.30 ± 0.67 kJ/mol NIST
Δfus 8.30 kJ/mol Calorim...
Δvap 62.40 ± 0.30 kJ/mol NIST
IE [9.61; 10.03] eV Show Hide
IE 9.61 ± 0.03 eV NIST
IE 10.03 eV NIST
log10WS [-1.40; -1.40]   Show Hide
log10WS -1.40 Aq. Sol...
log10WS -1.40 Estimat...
logPoct/wat 1.948 Crippen Calculated Property
McVol 115.360 ml/mol McGowan Calculated Property
Pc 3121.00 kPa Joback Calculated Property
ρc [268.43; 268.43] kg/m3 Show Hide
ρc 268.43 kg/m3 NIST
ρc 268.43 ± 19.75 kg/m3 NIST
Inp [865.00; 881.00]   Show Hide
Inp Outlier 865.00 NIST
Inp 872.00 NIST
Inp 880.00 NIST
Inp 877.00 NIST
Inp 879.00 NIST
Inp 879.00 NIST
Inp 881.00 NIST
Inp 880.00 NIST
Inp 876.00 NIST
Inp 874.00 NIST
Inp 879.00 NIST
Inp 872.00 NIST
Inp 871.00 NIST
Inp 870.00 NIST
Inp 875.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 879.00 NIST
Inp 875.00 NIST
Inp 875.00 NIST
Inp 874.00 NIST
Inp 879.00 NIST
Inp 881.00 NIST
I [1250.00; 1308.00]   Show Hide
I 1290.00 NIST
I 1281.00 NIST
I 1272.00 NIST
I 1250.00 NIST
I 1308.00 NIST
I 1285.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1288.00 NIST
I 1290.00 NIST
I 1308.00 NIST
Tboil [425.15; 429.10] K Show Hide
Tboil 426.65 ± 1.50 K NIST
Tboil 428.15 ± 2.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 428.25 ± 0.50 K NIST
Tboil 428.45 ± 1.00 K NIST
Tboil 427.40 ± 2.00 K NIST
Tboil Outlier 425.15 ± 3.00 K NIST
Tboil 428.55 ± 2.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 429.10 ± 1.00 K NIST
Tboil 427.65 ± 2.00 K NIST
Tboil 426.15 ± 3.00 K NIST
Tc [602.60; 602.60] K Show Hide
Tc 602.60 ± 0.50 K NIST
Tc 602.60 K NIST
Tc 602.60 ± 0.25 K NIST
Tfus [231.55; 235.10] K Show Hide
Tfus 231.55 K Aq. Sol...
Tfus 235.10 K Calorim...
Vc 0.432 m3/kmol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [247.92; 307.23] J/mol×K [451.30; 615.06] Show Hide
Cp,gas 247.92 J/mol×K 451.30 Joback Calculated Property
Cp,gas 258.79 J/mol×K 478.59 Joback Calculated Property
Cp,gas 269.25 J/mol×K 505.89 Joback Calculated Property
Cp,gas 279.32 J/mol×K 533.18 Joback Calculated Property
Cp,gas 289.00 J/mol×K 560.47 Joback Calculated Property
Cp,gas 298.30 J/mol×K 587.77 Joback Calculated Property
Cp,gas 307.23 J/mol×K 615.06 Joback Calculated Property
Cp,liquid [277.50; 382.60] J/mol×K [261.30; 379.76] Show Hide
Cp,liquid 277.60 J/mol×K 261.30 Calorim...
Cp,liquid 277.50 J/mol×K 261.37 Calorim...
Cp,liquid 280.70 J/mol×K 265.00 Calorim...
Cp,liquid 280.80 J/mol×K 265.00 Calorim...
Cp,liquid 284.90 J/mol×K 270.00 Calorim...
Cp,liquid 285.00 J/mol×K 270.00 Calorim...
Cp,liquid 289.30 J/mol×K 275.00 Calorim...
Cp,liquid 289.20 J/mol×K 275.00 Calorim...
Cp,liquid 293.70 J/mol×K 280.00 Calorim...
Cp,liquid 293.70 J/mol×K 280.00 Calorim...
Cp,liquid 298.50 J/mol×K 285.00 Calorim...
Cp,liquid 298.50 J/mol×K 285.00 Calorim...
Cp,liquid 303.70 J/mol×K 290.00 Calorim...
Cp,liquid 303.90 J/mol×K 290.00 Calorim...
Cp,liquid 309.50 J/mol×K 295.00 Calorim...
Cp,liquid 309.70 J/mol×K 295.00 Calorim...
Cp,liquid 317.60 J/mol×K 298.00 NIST
Cp,liquid 315.30 J/mol×K 300.00 Calorim...
Cp,liquid 315.50 J/mol×K 300.00 Calorim...
Cp,liquid 321.40 J/mol×K 305.00 Calorim...
Cp,liquid 321.50 J/mol×K 305.00 Calorim...
Cp,liquid 327.50 J/mol×K 310.00 Calorim...
Cp,liquid 327.70 J/mol×K 310.00 Calorim...
Cp,liquid 333.60 J/mol×K 315.00 Calorim...
Cp,liquid 333.70 J/mol×K 315.00 Calorim...
Cp,liquid 339.50 J/mol×K 320.00 Calorim...
Cp,liquid 339.60 J/mol×K 320.00 Calorim...
Cp,liquid 345.40 J/mol×K 325.00 Calorim...
Cp,liquid 345.10 J/mol×K 325.00 Calorim...
Cp,liquid 350.50 J/mol×K 330.00 Calorim...
Cp,liquid 350.70 J/mol×K 330.00 Calorim...
Cp,liquid 355.40 J/mol×K 335.00 Calorim...
Cp,liquid 355.60 J/mol×K 335.00 Calorim...
Cp,liquid 360.20 J/mol×K 340.00 Calorim...
Cp,liquid 359.80 J/mol×K 340.00 Calorim...
Cp,liquid 364.30 J/mol×K 345.00 Calorim...
Cp,liquid 364.70 J/mol×K 345.00 Calorim...
Cp,liquid 368.60 J/mol×K 350.00 Calorim...
Cp,liquid 368.80 J/mol×K 350.00 Calorim...
Cp,liquid 372.60 J/mol×K 355.00 Calorim...
Cp,liquid 372.20 J/mol×K 355.00 Calorim...
Cp,liquid 375.10 J/mol×K 360.00 Calorim...
Cp,liquid 375.50 J/mol×K 360.00 Calorim...
Cp,liquid 377.60 J/mol×K 365.00 Calorim...
Cp,liquid 378.00 J/mol×K 365.00 Calorim...
Cp,liquid 379.90 J/mol×K 370.00 Calorim...
Cp,liquid 379.40 J/mol×K 370.00 Calorim...
Cp,liquid 381.00 J/mol×K 375.00 Calorim...
Cp,liquid 381.60 J/mol×K 375.00 Calorim...
Cp,liquid 382.10 J/mol×K 379.72 Calorim...
Cp,liquid 382.60 J/mol×K 379.76 Calorim...
η [0.0002018; 0.1594974] Pa×s [214.47; 451.30] Show Hide
η 0.1594974 Pa×s 214.47 Joback Calculated Property
η 0.0221021 Pa×s 253.94 Joback Calculated Property
η 0.0052125 Pa×s 293.41 Joback Calculated Property
η 0.0017316 Pa×s 332.88 Joback Calculated Property
η 0.0007266 Pa×s 372.36 Joback Calculated Property
η 0.0003601 Pa×s 411.83 Joback Calculated Property
η 0.0002018 Pa×s 451.30 Joback Calculated Property
ΔvapH [53.10; 63.10] kJ/mol [301.00; 388.50] Show Hide
ΔvapH 63.10 kJ/mol 301.00 NIST
ΔvapH 58.20 kJ/mol 374.00 NIST
ΔvapH 56.90 kJ/mol 374.00 NIST
ΔvapH 53.10 kJ/mol 388.50 NIST
Pvap [0.02; 0.70] kPa [275.30; 320.38] Show Hide
Pvap 0.02 kPa 275.30 Vapour ...
Pvap 0.02 kPa 278.30 Vapour ...
Pvap 0.03 kPa 281.30 Vapour ...
Pvap 0.03 kPa 282.43 Vapor P...
Pvap 0.03 kPa 282.95 Vapor P...
Pvap 0.03 kPa 283.15 Vapor P...
Pvap 0.04 kPa 284.20 Vapour ...
Pvap 0.05 kPa 287.30 Vapour ...
Pvap 0.06 kPa 288.83 Vapor P...
Pvap 0.07 kPa 290.30 Vapour ...
Pvap 0.07 kPa 291.38 Vapor P...
Pvap 0.08 kPa 292.57 Vapor P...
Pvap 0.08 kPa 293.13 Vapor P...
Pvap 0.09 kPa 293.20 Vapour ...
Pvap 0.10 kPa 295.02 Vapor P...
Pvap 0.11 kPa 296.30 Vapour ...
Pvap 0.12 kPa 297.63 Vapor P...
Pvap 0.13 kPa 297.95 Vapor P...
Pvap 0.13 kPa 298.17 Vapor P...
Pvap 0.14 kPa 299.20 Vapour ...
Pvap 0.19 kPa 302.20 Vapour ...
Pvap 0.18 kPa 302.40 Vapor P...
Pvap 0.18 kPa 302.65 Vapor P...
Pvap 0.19 kPa 302.91 Vapor P...
Pvap 0.20 kPa 303.51 Vapor P...
Pvap 0.24 kPa 305.30 Vapour ...
Pvap 0.28 kPa 307.75 Vapor P...
Pvap 0.28 kPa 307.77 Vapor P...
Pvap 0.30 kPa 308.20 Vapour ...
Pvap 0.38 kPa 311.20 Vapour ...
Pvap 0.43 kPa 313.62 Vapor P...
Pvap 0.69 kPa 320.38 Vapor P...
Pvap 0.70 kPa 320.38 Vapor P...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 337.00 K 2.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [332.99; 450.86] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52932e+01
Coefficient B-3.51406e+03
Coefficient C-9.88080e+01
Temperature range, min.332.99
Temperature range, max.450.86
Pvap 1.33 kPa 332.99 Calculated Property
Pvap 2.95 kPa 346.09 Calculated Property
Pvap 6.03 kPa 359.18 Calculated Property
Pvap 11.51 kPa 372.28 Calculated Property
Pvap 20.71 kPa 385.38 Calculated Property
Pvap 35.39 kPa 398.47 Calculated Property
Pvap 57.83 kPa 411.57 Calculated Property
Pvap 90.85 kPa 424.67 Calculated Property
Pvap 137.80 kPa 437.76 Calculated Property
Pvap 202.66 kPa 450.86 Calculated Property

Similar Compounds

3-Hexanol. 4-Octanol. (S)-4-octanol. 5-Nonanol. 3-Heptanol. 4-Nonanol, (S)-. 4-Nonanol. Undecanol-4. 4-Tridecanol. 4-Dodecanol. 4-Decanol. 4-Pentadecanol. 4-Tetradecanol. 4-Hexadecanol. 5-Decanol.

Find more compounds similar to 4-Heptanol.

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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