- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| Cp,liquid | 306.77 | J/mol×K | Vapour ... |
| ΔfG° | -131.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.80 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | -416.30 ± 0.67 | kJ/mol | NIST |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.40 ± 0.30 | kJ/mol | NIST |
| IE | [9.61; 10.03] | eV |
|
| IE | 9.61 ± 0.03 | eV | NIST |
| IE | 10.03 | eV | NIST |
| log10WS | [-1.40; -1.40] |
|
|
| 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 |
|
| ρc | 268.43 | kg/m3 | NIST |
| ρc | 268.43 ± 19.75 | kg/m3 | NIST |
| Inp | [865.00; 881.00] |
|
|
| 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] |
|
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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] |
|
| 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 | 317.60 | J/mol×K | 298.00 | NIST |
| η | [0.0002018; 0.1594974] | Pa×s | [214.47; 451.30] |
|
| 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] |
|
| 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 | [0.03; 0.70] | kPa | [282.43; 320.38] |
|
| 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 | 0.06 | kPa | 288.83 | Vapor P... |
| 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 | 0.10 | kPa | 295.02 | Vapor P... |
| 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 | 0.18 | 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 | 0.28 | kPa | 307.75 | Vapor P... |
| Pvap | 0.28 | kPa | 307.77 | Vapor P... |
| 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...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52932e+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
Find more compounds similar to 4-Heptanol.
Sources
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
- Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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