- InChI
- InChI=1S/C10H22O/c1-8(2)5-6-10(11)7-9(3)4/h8-11H,5-7H2,1-4H3
- InChI Key
- FRJOBNOTOHIMIH-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CC(C)CCC(O)CC(C)C
- Molecular Weight1
- 158.28
- CAS
- 19781-11-4
- Other Names
-
- 2,7-Dimethyl-4-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).
- 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 | 0.6333 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.830 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Tboil | 468.02 | K | Relay (1.0) Calculated Property |
| Tc | 648.05 | K | Relay (1.0) Calculated Property |
| Tfus | 265.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.30; 457.87] | J/mol×K | [519.06; 686.37] | 
|
| Cp,gas | 381.30 | J/mol×K | 519.06 | Joback Calculated Property |
| Cp,gas | 395.45 | J/mol×K | 546.94 | Joback Calculated Property |
| Cp,gas | 409.03 | J/mol×K | 574.83 | Joback Calculated Property |
| Cp,gas | 422.04 | J/mol×K | 602.71 | Joback Calculated Property |
| Cp,gas | 434.51 | J/mol×K | 630.60 | Joback Calculated Property |
| Cp,gas | 446.45 | J/mol×K | 658.48 | Joback Calculated Property |
| Cp,gas | 457.87 | J/mol×K | 686.37 | Joback Calculated Property |
| η | [0.0001048; 0.3779599] | Pa×s | [218.28; 519.06] |
|
| η | 0.3779599 | Pa×s | 218.28 | Joback Calculated Property |
| η | 0.0269801 | Pa×s | 268.41 | Joback Calculated Property |
| η | 0.0044205 | Pa×s | 318.54 | Joback Calculated Property |
| η | 0.0011845 | Pa×s | 368.67 | Joback Calculated Property |
| η | 0.0004350 | Pa×s | 418.80 | Joback Calculated Property |
| η | 0.0001979 | Pa×s | 468.93 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 519.06 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [367.12; 515.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52748e+01 | |||
| Coefficient B | -4.40441e+03 | |||
| Coefficient C | -7.32420e+01 | |||
| Temperature range, min. | 367.12 | |||
| Temperature range, max. | 515.30 | |||
| Pvap | 1.33 | kPa | 367.12 | Calculated Property |
| Pvap | 2.95 | kPa | 383.58 | Calculated Property |
| Pvap | 6.04 | kPa | 400.05 | Calculated Property |
| Pvap | 11.52 | kPa | 416.51 | Calculated Property |
| Pvap | 20.73 | kPa | 432.98 | Calculated Property |
| Pvap | 35.42 | kPa | 449.44 | Calculated Property |
| Pvap | 57.86 | kPa | 465.91 | Calculated Property |
| Pvap | 90.87 | kPa | 482.37 | Calculated Property |
| Pvap | 137.82 | kPa | 498.84 | Calculated Property |
| Pvap | 202.63 | kPa | 515.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octanol, 2,7-dimethyl-.
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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