- InChI
- InChI=1S/C8H18O/c1-3-5-8(2)6-4-7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- LLUQZGDMUIMPTC-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCC(C)CCCO
- Molecular Weight1
- 130.23
- CAS
- 817-91-4
- Other Names
-
- 4-Methyl-1-heptanol
- 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).
- 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).
- I : 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 | 0.6547 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| I | 1973.00 | NIST | |
| Tboil | [455.15; 463.65] | K |
|
| Tboil | 455.85 ± 0.50 | K | NIST |
| Tboil | 455.15 ± 3.00 | K | NIST |
| Tboil | 463.65 ± 5.00 | K | NIST |
| Tc | 645.53 | K | Relay (1.0) Calculated Property |
| Tfus | 210.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.23; 354.79] | J/mol×K | [474.18; 637.10] |
|
| Cp,gas | 290.23 | J/mol×K | 474.18 | Joback Calculated Property |
| Cp,gas | 302.08 | J/mol×K | 501.33 | Joback Calculated Property |
| Cp,gas | 313.47 | J/mol×K | 528.49 | Joback Calculated Property |
| Cp,gas | 324.43 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 334.96 | J/mol×K | 582.79 | Joback Calculated Property |
| Cp,gas | 345.08 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 354.79 | J/mol×K | 637.10 | Joback Calculated Property |
| η | [0.0001689; 0.1178389] | Pa×s | [225.74; 474.18] |
|
| η | 0.1178389 | Pa×s | 225.74 | Joback Calculated Property |
| η | 0.0169844 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0041171 | Pa×s | 308.55 | Joback Calculated Property |
| η | 0.0013956 | Pa×s | 349.96 | Joback Calculated Property |
| η | 0.0005948 | Pa×s | 391.37 | Joback Calculated Property |
| η | 0.0002984 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 474.18 | Joback Calculated Property |
| ΔvapH | [55.90; 56.70] | kJ/mol | [405.00; 406.50] |
|
| ΔvapH | 56.70 | kJ/mol | 405.00 | NIST |
| ΔvapH | 55.90 | kJ/mol | 406.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [345.66; 481.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.70449e+01 | |||
| Coefficient B | -5.29832e+03 | |||
| Coefficient C | -2.94790e+01 | |||
| Temperature range, min. | 345.66 | |||
| Temperature range, max. | 481.04 | |||
| Pvap | 1.33 | kPa | 345.66 | Calculated Property |
| Pvap | 2.85 | kPa | 360.70 | Calculated Property |
| Pvap | 5.72 | kPa | 375.74 | Calculated Property |
| Pvap | 10.81 | kPa | 390.79 | Calculated Property |
| Pvap | 19.43 | kPa | 405.83 | Calculated Property |
| Pvap | 33.37 | kPa | 420.87 | Calculated Property |
| Pvap | 55.08 | kPa | 435.91 | Calculated Property |
| Pvap | 87.71 | kPa | 450.96 | Calculated Property |
| Pvap | 135.26 | kPa | 466.00 | Calculated Property |
| Pvap | 202.66 | kPa | 481.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, 4-methyl-.
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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