- InChI
- InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
- InChI Key
- QICIMADZMWGDTQ-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(CC)OC(C)=O
- Molecular Weight1
- 158.24
- CAS
- 5921-83-5
- Other Names
-
- 3-Heptanol, acetate
- 3-heptyl acetate
- Acetic acid, hept-3-yl ester
- heptan-3-yl acetate
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5223 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) 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 | 1040.00 | NIST | |
| Tboil | 437.85 | K | Relay (1.0) Calculated Property |
| Tc | 613.32 | K | Relay (1.0) Calculated Property |
| Tfus | 198.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) 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 | [346.52; 482.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55665e+01 | |||
| Coefficient B | -4.24760e+03 | |||
| Coefficient C | -6.85160e+01 | |||
| Temperature range, min. | 346.52 | |||
| Temperature range, max. | 482.71 | |||
| Pvap | 1.33 | kPa | 346.52 | Calculated Property |
| Pvap | 2.93 | kPa | 361.65 | Calculated Property |
| Pvap | 5.98 | kPa | 376.78 | Calculated Property |
| Pvap | 11.39 | kPa | 391.92 | Calculated Property |
| Pvap | 20.48 | kPa | 407.05 | Calculated Property |
| Pvap | 35.03 | kPa | 422.18 | Calculated Property |
| Pvap | 57.34 | kPa | 437.31 | Calculated Property |
| Pvap | 90.29 | kPa | 452.45 | Calculated Property |
| Pvap | 137.35 | kPa | 467.58 | Calculated Property |
| Pvap | 202.63 | kPa | 482.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethylpentyl acetate.
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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