- InChI
- InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3
- InChI Key
- ULCZGKYHRYJXAU-UHFFFAOYSA-N
- Formula
- C27H56O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 396.74
- CAS
- 2004--39-9
- Other Names
-
- Heptacosan-1-ol
- Heptacosanol
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ω | 1.3776 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.751 | Crippen Calculated Property | |
| McVol | 397.160 | ml/mol | McGowan Calculated Property |
| Pc | 723.40 | kPa | Joback Calculated Property |
| Inp | [432.80; 3016.00] |
|
|
| Inp | 3016.00 | NIST | |
| Inp | 432.80 | NIST | |
| Tboil | 655.82 | K | Relay (1.0) Calculated Property |
| Tc | 840.18 | K | Relay (1.0) Calculated Property |
| Tfus | 348.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.577 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.75; 1430.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.63640e+01 | |||
| Coefficient B | 2.60282e+00 | |||
| Coefficient C | -1.47540e-03 | |||
| Coefficient D | 3.19900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 590.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 733.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 862.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 976.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1078.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1168.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1247.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1317.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1378.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1430.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008114; 0.0000115] | Pa×s | [454.87; 788.58] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.71687e+01 | |||
| Coefficient B | 4.57235e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 454.87 | |||
| Temperature range, max. | 788.58 | |||
| η | 0.0008114 | Pa×s | 454.87 | Calculated Property |
| η | 0.0003804 | Pa×s | 491.95 | Calculated Property |
| η | 0.0001983 | Pa×s | 529.03 | Calculated Property |
| η | 0.0001126 | Pa×s | 566.11 | Calculated Property |
| η | 0.0000685 | Pa×s | 603.18 | Calculated Property |
| η | 0.0000442 | Pa×s | 640.26 | Calculated Property |
| η | 0.0000299 | Pa×s | 677.34 | Calculated Property |
| η | 0.0000211 | Pa×s | 714.42 | Calculated Property |
| η | 0.0000154 | Pa×s | 751.50 | Calculated Property |
| η | 0.0000115 | Pa×s | 788.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [543.12; 768.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44305e+01 | |||
| Coefficient B | -5.78046e+03 | |||
| Coefficient C | -1.34402e+02 | |||
| Temperature range, min. | 543.12 | |||
| Temperature range, max. | 768.29 | |||
| Pvap | 1.33 | kPa | 543.12 | Calculated Property |
| Pvap | 3.01 | kPa | 568.14 | Calculated Property |
| Pvap | 6.24 | kPa | 593.16 | Calculated Property |
| Pvap | 11.96 | kPa | 618.18 | Calculated Property |
| Pvap | 21.53 | kPa | 643.20 | Calculated Property |
| Pvap | 36.67 | kPa | 668.21 | Calculated Property |
| Pvap | 59.54 | kPa | 693.23 | Calculated Property |
| Pvap | 92.75 | kPa | 718.25 | Calculated Property |
| Pvap | 139.31 | kPa | 743.27 | Calculated Property |
| Pvap | 202.64 | kPa | 768.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptacosanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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