- InChI
- InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
- InChI Key
- QDTDKYHPHANITQ-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CC(C)CCCCCCO
- Molecular Weight1
- 144.25
- CAS
- 2430-22-0
- Other Names
-
- 1-Octanol, 7-methyl-
- 7-methyl-1-octanol
- 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 | 0.7118 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1138.00; 1144.00] |
|
|
| Inp | 1138.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Tboil | 484.55 | K | Relay (1.0) Calculated Property |
| Tc | 670.81 | K | Relay (1.0) Calculated Property |
| Tfus | 251.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.59; 502.86] | 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 | -1.68400e+00 | |||
| Coefficient B | 8.98740e-01 | |||
| Coefficient C | -4.99400e-04 | |||
| Coefficient D | 1.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 343.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 378.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 484.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 502.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0878509; 0.0002212] | Pa×s | [237.01; 461.58] |
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 | -1.47324e+01 | |||
| Coefficient B | 2.91529e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 237.01 | |||
| Temperature range, max. | 461.58 | |||
| η | 0.0878509 | Pa×s | 237.01 | Calculated Property |
| η | 0.0272217 | Pa×s | 261.96 | Calculated Property |
| η | 0.0103416 | Pa×s | 286.91 | Calculated Property |
| η | 0.0045869 | Pa×s | 311.87 | Calculated Property |
| η | 0.0022949 | Pa×s | 336.82 | Calculated Property |
| η | 0.0012633 | Pa×s | 361.77 | Calculated Property |
| η | 0.0007511 | Pa×s | 386.72 | Calculated Property |
| η | 0.0004756 | Pa×s | 411.68 | Calculated Property |
| η | 0.0003173 | Pa×s | 436.63 | Calculated Property |
| η | 0.0002212 | Pa×s | 461.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.15; 202.64] | kPa | [337.65; 487.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.80069e+01 | |||
| Coefficient B | -5.24432e+03 | |||
| Coefficient C | -7.43540e+01 | |||
| Temperature range, min. | 337.65 | |||
| Temperature range, max. | 487.44 | |||
| Pvap | 0.15 | kPa | 337.65 | Calculated Property |
| Pvap | 0.48 | kPa | 354.29 | Calculated Property |
| Pvap | 1.38 | kPa | 370.94 | Calculated Property |
| Pvap | 3.54 | kPa | 387.58 | Calculated Property |
| Pvap | 8.24 | kPa | 404.22 | Calculated Property |
| Pvap | 17.68 | kPa | 420.87 | Calculated Property |
| Pvap | 35.37 | kPa | 437.51 | Calculated Property |
| Pvap | 66.60 | kPa | 454.15 | Calculated Property |
| Pvap | 118.92 | kPa | 470.80 | Calculated Property |
| Pvap | 202.64 | kPa | 487.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Methyloctan-1-ol.
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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