- InChI
- InChI=1S/C5H10O2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3
- InChI Key
- OAEQYDZVVPONKW-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CCC(C)OC=O
- Molecular Weight1
- 102.13
- CAS
- 589-40-2
- Other Names
-
- Formic acid, sec-butyl ester
- butan-2-yl formate
- s-Butyl formate
- sec-Butyl Formate
- sec-Butyl methanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3882 | Relay (1.0) Calculated Property | |
| ΔfG° | -215.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.958 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Inp | [631.00; 640.00] |
|
|
| Inp | 633.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 633.00 | NIST | |
| Tboil | 358.97 | K | Relay (1.0) Calculated Property |
| Tc | 518.82 | K | Relay (1.0) Calculated Property |
| Tfus | 190.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.58; 212.38] | J/mol×K | [384.44; 561.97] |
|
| Cp,gas | 165.58 | J/mol×K | 384.44 | Joback Calculated Property |
| Cp,gas | 174.02 | J/mol×K | 414.03 | Joback Calculated Property |
| Cp,gas | 182.20 | J/mol×K | 443.62 | Joback Calculated Property |
| Cp,gas | 190.13 | J/mol×K | 473.21 | Joback Calculated Property |
| Cp,gas | 197.81 | J/mol×K | 502.79 | Joback Calculated Property |
| Cp,gas | 205.22 | J/mol×K | 532.38 | Joback Calculated Property |
| Cp,gas | 212.38 | J/mol×K | 561.97 | Joback Calculated Property |
| η | [0.0002815; 0.0048899] | Pa×s | [195.34; 384.44] |
|
| η | 0.0048899 | Pa×s | 195.34 | Joback Calculated Property |
| η | 0.0021832 | Pa×s | 226.86 | Joback Calculated Property |
| η | 0.0011867 | Pa×s | 258.37 | Joback Calculated Property |
| η | 0.0007365 | Pa×s | 289.89 | Joback Calculated Property |
| η | 0.0005019 | Pa×s | 321.41 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 352.92 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 384.44 | Joback Calculated Property |
| ΔvapH | 37.70 | kJ/mol | 302.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [272.52; 399.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.29998e+01 | |||
| Coefficient B | -2.47209e+03 | |||
| Coefficient C | -7.80530e+01 | |||
| Temperature range, min. | 272.52 | |||
| Temperature range, max. | 399.59 | |||
| Pvap | 1.33 | kPa | 272.52 | Calculated Property |
| Pvap | 3.15 | kPa | 286.64 | Calculated Property |
| Pvap | 6.68 | kPa | 300.76 | Calculated Property |
| Pvap | 12.95 | kPa | 314.88 | Calculated Property |
| Pvap | 23.30 | kPa | 329.00 | Calculated Property |
| Pvap | 39.38 | kPa | 343.11 | Calculated Property |
| Pvap | 63.12 | kPa | 357.23 | Calculated Property |
| Pvap | 96.67 | kPa | 371.35 | Calculated Property |
| Pvap | 142.36 | kPa | 385.47 | Calculated Property |
| Pvap | 202.65 | kPa | 399.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 1-methylpropyl ester.
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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