- InChI
- InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3
- InChI Key
- JNRDWRMJYGDQQE-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(=O)OC(C)CCCC(C)C
- Molecular Weight1
- 172.26
- CAS
- 67952-57-2
- Other Names
-
- 1,5-dimethylhexyl acetate
- 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° | -205.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | 1080.00 | NIST | |
| I | 1300.00 | NIST | |
| Tboil | 503.61 | K | Joback Calculated Property |
| Tc | 682.96 | K | Joback Calculated Property |
| Tfus | 244.62 | K | Joback Calculated Property |
| Vc | 0.608 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.51; 449.08] | J/mol×K | [503.61; 682.96] | 
|
| Cp,gas | 368.51 | J/mol×K | 503.61 | Joback Calculated Property |
| Cp,gas | 383.39 | J/mol×K | 533.50 | Joback Calculated Property |
| Cp,gas | 397.67 | J/mol×K | 563.39 | Joback Calculated Property |
| Cp,gas | 411.38 | J/mol×K | 593.28 | Joback Calculated Property |
| Cp,gas | 424.51 | J/mol×K | 623.18 | Joback Calculated Property |
| Cp,gas | 437.08 | J/mol×K | 653.07 | Joback Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 682.96 | Joback Calculated Property |
| η | [0.0001994; 0.0070487] | Pa×s | [244.62; 503.61] |
|
| η | 0.0070487 | Pa×s | 244.62 | Joback Calculated Property |
| η | 0.0024917 | Pa×s | 287.79 | Joback Calculated Property |
| η | 0.0011553 | Pa×s | 330.95 | Joback Calculated Property |
| η | 0.0006396 | Pa×s | 374.12 | Joback Calculated Property |
| η | 0.0004002 | Pa×s | 417.28 | Joback Calculated Property |
| η | 0.0002734 | Pa×s | 460.44 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 503.61 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [347.22; 508.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39901e+01 | |||
| Coefficient B | -3.81132e+03 | |||
| Coefficient C | -6.90720e+01 | |||
| Temperature range, min. | 347.22 | |||
| Temperature range, max. | 508.24 | |||
| Pvap | 1.33 | kPa | 347.22 | Calculated Property |
| Pvap | 3.05 | kPa | 365.11 | Calculated Property |
| Pvap | 6.36 | kPa | 383.00 | Calculated Property |
| Pvap | 12.23 | kPa | 400.89 | Calculated Property |
| Pvap | 22.01 | kPa | 418.78 | Calculated Property |
| Pvap | 37.41 | kPa | 436.68 | Calculated Property |
| Pvap | 60.54 | kPa | 454.57 | Calculated Property |
| Pvap | 93.86 | kPa | 472.46 | Calculated Property |
| Pvap | 140.19 | kPa | 490.35 | Calculated Property |
| Pvap | 202.67 | kPa | 508.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, 6-methyl, acetate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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