- InChI
- InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
- InChI Key
- FGPPDYNPZTUNIU-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCOC(=O)CCCC
- Molecular Weight1
- 172.26
- CAS
- 2173-56-0
- Other Names
-
- 1-Pentyl n-valerate
- Amyl valerate
- Amyl valerianate
- NSC 76414
- Pentyl ester of pentanoic acid
- Pentyl pentanoate
- Pentyl valerate
- Valeric acid, pentyl ester
- n-Amyl n-valerate
- n-Pentyl valerate
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6219 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | [1150.00; 1188.00] |
|
|
| Inp | 1155.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1155.00 | NIST | |
| I | [1401.00; 1406.00] |
|
|
| I | 1406.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1406.00 | NIST | |
| Tboil | [476.90; 479.00] | K |
|
| Tboil | 479.00 ± 4.00 | K | NIST |
| Tboil | 476.90 ± 2.00 | K | NIST |
| Tc | 657.71 | K | Relay (1.0) Calculated Property |
| Tfus | 208.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.76; 440.14] | J/mol×K | [486.62; 656.01] |
|
| Cp,gas | 361.76 | J/mol×K | 486.62 | Joback Calculated Property |
| Cp,gas | 376.18 | J/mol×K | 514.85 | Joback Calculated Property |
| Cp,gas | 390.06 | J/mol×K | 543.08 | Joback Calculated Property |
| Cp,gas | 403.38 | J/mol×K | 571.32 | Joback Calculated Property |
| Cp,gas | 416.17 | J/mol×K | 599.55 | Joback Calculated Property |
| Cp,gas | 428.42 | J/mol×K | 627.78 | Joback Calculated Property |
| Cp,gas | 440.14 | J/mol×K | 656.01 | Joback Calculated Property |
| η | [0.0002084; 0.0058393] | Pa×s | [244.79; 486.62] |
|
| η | 0.0058393 | Pa×s | 244.79 | Joback Calculated Property |
| η | 0.0022625 | Pa×s | 285.10 | Joback Calculated Property |
| η | 0.0011087 | Pa×s | 325.40 | Joback Calculated Property |
| η | 0.0006358 | Pa×s | 365.70 | Joback Calculated Property |
| η | 0.0004072 | Pa×s | 406.01 | Joback Calculated Property |
| η | 0.0002826 | Pa×s | 446.31 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 486.62 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [358.48; 508.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48510e+01 | |||
| Coefficient B | -4.14716e+03 | |||
| Coefficient C | -7.37140e+01 | |||
| Temperature range, min. | 358.48 | |||
| Temperature range, max. | 508.45 | |||
| Pvap | 1.33 | kPa | 358.48 | Calculated Property |
| Pvap | 2.98 | kPa | 375.14 | Calculated Property |
| Pvap | 6.13 | kPa | 391.81 | Calculated Property |
| Pvap | 11.73 | kPa | 408.47 | Calculated Property |
| Pvap | 21.11 | kPa | 425.13 | Calculated Property |
| Pvap | 36.02 | kPa | 441.80 | Calculated Property |
| Pvap | 58.68 | kPa | 458.46 | Calculated Property |
| Pvap | 91.79 | kPa | 475.12 | Calculated Property |
| Pvap | 138.56 | kPa | 491.79 | Calculated Property |
| Pvap | 202.66 | kPa | 508.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, pentyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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