- 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° | 72.96 | 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 | 650.09 | K | Relay (1.0) Calculated Property |
| Tfus | 261.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.18; 555.52] | 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 | -5.95700e+00 | |||
| Coefficient B | 1.00558e+00 | |||
| Coefficient C | -5.60200e-04 | |||
| Coefficient D | 1.16100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 284.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 379.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 484.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 511.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 535.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 555.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3779599; 0.0001686] | Pa×s | [218.28; 480.64] |
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 | -1.51066e+01 | |||
| Coefficient B | 3.08509e+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. | 218.28 | |||
| Temperature range, max. | 480.64 | |||
| η | 0.3779599 | Pa×s | 218.28 | Calculated Property |
| η | 0.0714942 | Pa×s | 247.43 | Calculated Property |
| η | 0.0192105 | Pa×s | 276.58 | Calculated Property |
| η | 0.0066320 | Pa×s | 305.73 | Calculated Property |
| η | 0.0027553 | Pa×s | 334.89 | Calculated Property |
| η | 0.0013176 | Pa×s | 364.04 | Calculated Property |
| η | 0.0007029 | Pa×s | 393.19 | Calculated Property |
| η | 0.0004090 | Pa×s | 422.34 | Calculated Property |
| η | 0.0002552 | Pa×s | 451.49 | Calculated Property |
| η | 0.0001686 | Pa×s | 480.64 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [367.12; 515.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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