Chemical Properties of 3-Heptanol (CAS 589-82-2)

3-Heptanol

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InChI
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChI Key
RZKSECIXORKHQS-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CCCCC(O)CC
Molecular Weight1
116.20
CAS
589-82-2
Other Names
  • 1-Ethyl-1-pentanol
  • 3-Hydroxyheptane
  • CH3(CH2)3CHOHCH2CH3
  • DL-3-Heptanol
  • Ethyl-n-butylcarbinol
  • Ethylbutylcarbinol
  • Heptan-3-ol
  • Heptanol-3
  • NSC 2586
  • n-Heptan-3-ol

Physical Properties

Property Value Unit Source
Δf -131.20 kJ/mol Joback Calculated Property
Δfgas -355.30 ± 2.10 kJ/mol NIST
Δfliquid -416.80 ± 0.67 kJ/mol NIST
Δfus 14.45 kJ/mol Joback Calculated Property
Δvap 47.47 kJ/mol Joback Calculated Property
IE [9.68; 10.01] eV Show Hide
IE 9.68 ± 0.03 eV NIST
IE 10.01 eV NIST
log10WS [-1.47; -1.47]   Show Hide
log10WS -1.47 Aq. Sol...
log10WS -1.47 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 [861.00; 892.10]   Show Hide
Inp 877.90 NIST
Inp 883.80 NIST
Inp Outlier 861.00 NIST
Inp 876.00 NIST
Inp 886.00 NIST
Inp 885.00 NIST
Inp 885.00 NIST
Inp 882.00 NIST
Inp 882.00 NIST
Inp 892.10 NIST
Inp 884.00 NIST
Inp 886.00 NIST
Inp 877.00 NIST
Inp 877.00 NIST
Inp 877.00 NIST
Inp 877.00 NIST
Inp 876.00 NIST
Inp 886.00 NIST
Inp 886.00 NIST
Inp 881.00 NIST
Inp 886.00 NIST
Inp 882.00 NIST
Inp 892.10 NIST
I [1280.00; 1306.00]   Show Hide
I 1286.00 NIST
I 1284.00 NIST
I 1280.00 NIST
I Outlier 1306.00 NIST
I 1290.00 NIST
I 1290.00 NIST
I 1292.00 NIST
Tboil [425.15; 429.55] K Show Hide
Tboil 425.15 ± 3.00 K NIST
Tboil 429.55 ± 0.50 K NIST
Tboil 426.65 ± 3.00 K NIST
Tboil 425.15 ± 3.00 K NIST
Tboil 426.15 ± 2.00 K NIST
Tc [605.30; 605.40] K Show Hide
Tc 605.40 ± 0.50 K NIST
Tc 605.30 K NIST
Tc 605.40 ± 0.25 K NIST
Tfus 214.47 K Joback Calculated Property
Vc 0.434 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 [274.70; 381.10] J/mol×K [261.36; 382.85] Show Hide
Cp,liquid 274.70 J/mol×K 261.36 Calorim...
Cp,liquid 274.70 J/mol×K 261.41 Calorim...
Cp,liquid 278.90 J/mol×K 265.00 Calorim...
Cp,liquid 278.60 J/mol×K 265.00 Calorim...
Cp,liquid 284.30 J/mol×K 270.00 Calorim...
Cp,liquid 284.00 J/mol×K 270.00 Calorim...
Cp,liquid 289.30 J/mol×K 275.00 Calorim...
Cp,liquid 289.80 J/mol×K 275.00 Calorim...
Cp,liquid 295.40 J/mol×K 280.00 Calorim...
Cp,liquid 294.70 J/mol×K 280.00 Calorim...
Cp,liquid 300.80 J/mol×K 285.00 Calorim...
Cp,liquid 300.10 J/mol×K 285.00 Calorim...
Cp,liquid 305.60 J/mol×K 290.00 Calorim...
Cp,liquid 306.50 J/mol×K 290.00 Calorim...
Cp,liquid 312.10 J/mol×K 295.00 Calorim...
Cp,liquid 311.00 J/mol×K 295.00 Calorim...
Cp,liquid 317.40 J/mol×K 300.00 Calorim...
Cp,liquid 316.40 J/mol×K 300.00 Calorim...
Cp,liquid 323.00 J/mol×K 305.00 Calorim...
Cp,liquid 322.10 J/mol×K 305.00 Calorim...
Cp,liquid 328.80 J/mol×K 310.00 Calorim...
Cp,liquid 327.80 J/mol×K 310.00 Calorim...
Cp,liquid 334.30 J/mol×K 315.00 Calorim...
Cp,liquid 332.70 J/mol×K 315.00 Calorim...
Cp,liquid 339.90 J/mol×K 320.00 Calorim...
Cp,liquid 338.10 J/mol×K 320.00 Calorim...
Cp,liquid 345.20 J/mol×K 325.00 Calorim...
Cp,liquid 343.40 J/mol×K 325.00 Calorim...
Cp,liquid 350.30 J/mol×K 330.00 Calorim...
Cp,liquid 348.40 J/mol×K 330.00 Calorim...
Cp,liquid 354.90 J/mol×K 335.00 Calorim...
Cp,liquid 353.00 J/mol×K 335.00 Calorim...
Cp,liquid 359.10 J/mol×K 340.00 Calorim...
Cp,liquid 357.20 J/mol×K 340.00 Calorim...
Cp,liquid 363.20 J/mol×K 345.00 Calorim...
Cp,liquid 361.50 J/mol×K 345.00 Calorim...
Cp,liquid 365.80 J/mol×K 350.00 Calorim...
Cp,liquid 367.30 J/mol×K 350.01 Calorim...
Cp,liquid 370.90 J/mol×K 355.00 Calorim...
Cp,liquid 369.40 J/mol×K 355.00 Calorim...
Cp,liquid 373.90 J/mol×K 360.00 Calorim...
Cp,liquid 372.30 J/mol×K 360.00 Calorim...
Cp,liquid 376.30 J/mol×K 365.00 Calorim...
Cp,liquid 374.80 J/mol×K 365.00 Calorim...
Cp,liquid 378.10 J/mol×K 370.00 Calorim...
Cp,liquid 376.60 J/mol×K 370.00 Calorim...
Cp,liquid 379.60 J/mol×K 375.00 Calorim...
Cp,liquid 378.20 J/mol×K 375.00 Calorim...
Cp,liquid 379.50 J/mol×K 380.00 Calorim...
Cp,liquid 380.70 J/mol×K 380.00 Calorim...
Cp,liquid 381.10 J/mol×K 382.85 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; 67.00] kJ/mol [279.00; 389.50] Show Hide
ΔvapH 64.70 kJ/mol 279.00 NIST
ΔvapH 67.00 kJ/mol 288.50 NIST
ΔvapH 60.30 kJ/mol 377.50 NIST
ΔvapH 59.20 kJ/mol 378.50 NIST
ΔvapH 53.10 kJ/mol 389.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 339.20 K 2.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [337.47; 446.14] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54409e+01
Coefficient B-3.32014e+03
Coefficient C-1.18372e+02
Temperature range, min.337.47
Temperature range, max.446.14
Pvap 1.33 kPa 337.47 Calculated Property
Pvap 2.94 kPa 349.54 Calculated Property
Pvap 6.00 kPa 361.62 Calculated Property
Pvap 11.44 kPa 373.69 Calculated Property
Pvap 20.58 kPa 385.77 Calculated Property
Pvap 35.19 kPa 397.84 Calculated Property
Pvap 57.56 kPa 409.92 Calculated Property
Pvap 90.53 kPa 421.99 Calculated Property
Pvap 137.55 kPa 434.07 Calculated Property
Pvap 202.63 kPa 446.14 Calculated Property

Similar Compounds

5-Nonanol. (±)-octan-3-ol. 3-Octanol. (S)-4-octanol. 4-Octanol. 3-Hexadecanol. 3-Nonanol. Undecanol-3. 3-Decanol. 3-Dodecanol. 3-Tridecanol. 3-Tetradecanol. 3-Pentadecanol. (S)-decan-3-ol. 3-Heptadecanol.

Find more compounds similar to 3-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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