- InChI
- InChI=1S/C8H16O/c1-4-6-8(3,9)7-5-2/h4,9H,1,5-7H2,2-3H3
- InChI Key
- PYKQMQBNPLNLPS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=CCC(C)(O)CCC
- Molecular Weight1
- 128.21
- CAS
- 1186-31-8
- Other Names
-
- 4-Methyl-1-hepten-4-ol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -29.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Tboil | 468.07 | K | Joback Calculated Property |
| Tc | 640.15 | K | Joback Calculated Property |
| Tfus | 241.40 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.74; 339.11] | J/mol×K | [468.07; 640.15] | 
|
| Cp,gas | 275.74 | J/mol×K | 468.07 | Joback Calculated Property |
| Cp,gas | 287.71 | J/mol×K | 496.75 | Joback Calculated Property |
| Cp,gas | 299.08 | J/mol×K | 525.43 | Joback Calculated Property |
| Cp,gas | 309.88 | J/mol×K | 554.11 | Joback Calculated Property |
| Cp,gas | 320.13 | J/mol×K | 582.79 | Joback Calculated Property |
| Cp,gas | 329.87 | J/mol×K | 611.47 | Joback Calculated Property |
| Cp,gas | 339.11 | J/mol×K | 640.15 | Joback Calculated Property |
| η | [0.0001854; 0.0700944] | Pa×s | [241.40; 468.07] |
|
| η | 0.0700944 | Pa×s | 241.40 | Joback Calculated Property |
| η | 0.0133473 | Pa×s | 279.18 | Joback Calculated Property |
| η | 0.0037740 | Pa×s | 316.96 | Joback Calculated Property |
| η | 0.0013966 | Pa×s | 354.74 | Joback Calculated Property |
| η | 0.0006258 | Pa×s | 392.51 | Joback Calculated Property |
| η | 0.0003229 | Pa×s | 430.29 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 468.07 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [345.32; 508.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38593e+01 | |||
| Coefficient B | -3.77935e+03 | |||
| Coefficient C | -6.68480e+01 | |||
| Temperature range, min. | 345.32 | |||
| Temperature range, max. | 508.99 | |||
| Pvap | 1.33 | kPa | 345.32 | Calculated Property |
| Pvap | 3.06 | kPa | 363.51 | Calculated Property |
| Pvap | 6.39 | kPa | 381.69 | Calculated Property |
| Pvap | 12.32 | kPa | 399.88 | Calculated Property |
| Pvap | 22.16 | kPa | 418.06 | Calculated Property |
| Pvap | 37.65 | kPa | 436.25 | Calculated Property |
| Pvap | 60.84 | kPa | 454.43 | Calculated Property |
| Pvap | 94.19 | kPa | 472.62 | Calculated Property |
| Pvap | 140.45 | kPa | 490.80 | Calculated Property |
| Pvap | 202.65 | kPa | 508.99 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hepten-4-ol, 4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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