- InChI
- InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
- InChI Key
- VJYWBLDDQZIGJI-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCC(C)OC(C)=O
- Molecular Weight1
- 158.24
- CAS
- 5921-82-4
- Other Names
-
- 1-Methylhexyl acetate
- 2-Heptyl acetate
- Acetic acid, hept-2-yl ester
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [1019.00; 1054.00] |
|
|
| Inp | 1034.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | Outlier 1054.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1035.00 | NIST | |
| I | [1250.00; 1266.00] |
|
|
| I | 1255.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1255.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1266.00 | NIST | |
| Tboil | 481.17 | K | Joback Calculated Property |
| Tc | 658.49 | K | Joback Calculated Property |
| Tfus | 248.35 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.06; 397.15] | J/mol×K | [481.17; 658.49] |
|
| Cp,gas | 323.06 | J/mol×K | 481.17 | Joback Calculated Property |
| Cp,gas | 336.66 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 540.28 | Joback Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 569.83 | Joback Calculated Property |
| Cp,gas | 374.44 | J/mol×K | 599.38 | Joback Calculated Property |
| Cp,gas | 386.04 | J/mol×K | 628.93 | Joback Calculated Property |
| Cp,gas | 397.15 | J/mol×K | 658.49 | Joback Calculated Property |
| η | [0.0002272; 0.0047844] | Pa×s | [248.35; 481.17] |
|
| η | 0.0047844 | Pa×s | 248.35 | Joback Calculated Property |
| η | 0.0020429 | Pa×s | 287.15 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 325.96 | Joback Calculated Property |
| η | 0.0006412 | Pa×s | 364.76 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 442.37 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 481.17 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [344.44; 483.43] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53108e+01 | |||
| Coefficient B | -4.15613e+03 | |||
| Coefficient C | -6.77930e+01 | |||
| Temperature range, min. | 344.44 | |||
| Temperature range, max. | 483.43 | |||
| Pvap | 1.33 | kPa | 344.44 | Calculated Property |
| Pvap | 2.95 | kPa | 359.88 | Calculated Property |
| Pvap | 6.03 | kPa | 375.33 | Calculated Property |
| Pvap | 11.50 | kPa | 390.77 | Calculated Property |
| Pvap | 20.69 | kPa | 406.21 | Calculated Property |
| Pvap | 35.37 | kPa | 421.66 | Calculated Property |
| Pvap | 57.80 | kPa | 437.10 | Calculated Property |
| Pvap | 90.80 | kPa | 452.54 | Calculated Property |
| Pvap | 137.76 | kPa | 467.99 | Calculated Property |
| Pvap | 202.63 | kPa | 483.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, acetate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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