- InChI
- InChI=1S/C8H18O/c1-4-6-8(3,9)7-5-2/h9H,4-7H2,1-3H3
- InChI Key
- IQXKGRKRIRMQCQ-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCC(C)(O)CCC
- Molecular Weight1
- 130.23
- CAS
- 598-01-6
- Other Names
-
- 4-Hydroxy-4-methylheptane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6181 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | [433.95; 434.20] | K |
|
| Tboil | 434.20 | K | NIST |
| Tboil | 433.95 ± 1.00 | K | NIST |
| Tc | 613.25 | K | Relay (1.0) Calculated Property |
| Tfus | 191.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 367.40 | J/mol×K | 298.50 | NIST |
| ΔvapH | [54.40; 54.80] | kJ/mol | [382.50; 389.00] |
|
| ΔvapH | 54.80 | kJ/mol | 382.50 | NIST |
| ΔvapH | 54.40 | kJ/mol | 389.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.23; 452.19] | 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 | -2.35660e+01 | |||
| Coefficient B | 9.23660e-01 | |||
| Coefficient C | -6.13600e-04 | |||
| Coefficient D | 1.65700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 396.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 417.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 452.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [2.1892559; 0.0002506] | Pa×s | [191.15; 448.36] |
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 | -1.50357e+01 | |||
| Coefficient B | 3.02385e+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. | 191.15 | |||
| Temperature range, max. | 448.36 | |||
| η | 2.1892559 | Pa×s | 191.15 | Calculated Property |
| η | 0.2797175 | Pa×s | 219.73 | Calculated Property |
| η | 0.0573900 | Pa×s | 248.31 | Calculated Property |
| η | 0.0163288 | Pa×s | 276.89 | Calculated Property |
| η | 0.0058778 | Pa×s | 305.47 | Calculated Property |
| η | 0.0025200 | Pa×s | 334.05 | Calculated Property |
| η | 0.0012347 | Pa×s | 362.62 | Calculated Property |
| η | 0.0006714 | Pa×s | 391.20 | Calculated Property |
| η | 0.0003967 | Pa×s | 419.78 | Calculated Property |
| η | 0.0002506 | Pa×s | 448.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [335.29; 457.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53196e+01 | |||
| Coefficient B | -3.67394e+03 | |||
| Coefficient C | -9.08800e+01 | |||
| Temperature range, min. | 335.29 | |||
| Temperature range, max. | 457.98 | |||
| Pvap | 1.33 | kPa | 335.29 | Calculated Property |
| Pvap | 2.95 | kPa | 348.92 | Calculated Property |
| Pvap | 6.03 | kPa | 362.55 | Calculated Property |
| Pvap | 11.50 | kPa | 376.19 | Calculated Property |
| Pvap | 20.69 | kPa | 389.82 | Calculated Property |
| Pvap | 35.36 | kPa | 403.45 | Calculated Property |
| Pvap | 57.79 | kPa | 417.08 | Calculated Property |
| Pvap | 90.80 | kPa | 430.72 | Calculated Property |
| Pvap | 137.77 | kPa | 444.35 | Calculated Property |
| Pvap | 202.66 | kPa | 457.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-4-heptanol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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