- InChI
- InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3
- InChI Key
- SCFQUKBBGYTJNC-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CC(=O)OCCCCCCC
- Molecular Weight1
- 170.25
- CAS
- 2499-58-3
- Other Names
-
- 2-Propenoic acid, heptyl ester
- Acrylic acid, heptyl ester
- ENT 15748
- Heptyl acrylate
- 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 | 0.6206 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | 1173.00 | NIST | |
| I | 1489.00 | NIST | |
| Tboil | 472.18 | K | Relay (1.0) Calculated Property |
| Tc | 663.82 | K | Relay (1.0) Calculated Property |
| Tfus | 231.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.85; 423.57] | J/mol×K | [501.17; 676.68] | 
|
| Cp,gas | 349.85 | J/mol×K | 501.17 | Joback Calculated Property |
| Cp,gas | 363.46 | J/mol×K | 530.42 | Joback Calculated Property |
| Cp,gas | 376.52 | J/mol×K | 559.67 | Joback Calculated Property |
| Cp,gas | 389.06 | J/mol×K | 588.93 | Joback Calculated Property |
| Cp,gas | 401.07 | J/mol×K | 618.18 | Joback Calculated Property |
| Cp,gas | 412.57 | J/mol×K | 647.43 | Joback Calculated Property |
| Cp,gas | 423.57 | J/mol×K | 676.68 | Joback Calculated Property |
| η | [0.0002268; 0.0030420] | Pa×s | [272.86; 501.17] |
|
| η | 0.0030420 | Pa×s | 272.86 | Joback Calculated Property |
| η | 0.0015143 | Pa×s | 310.91 | Joback Calculated Property |
| η | 0.0008777 | Pa×s | 348.96 | Joback Calculated Property |
| η | 0.0005663 | Pa×s | 387.01 | Joback Calculated Property |
| η | 0.0003952 | Pa×s | 425.07 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 463.12 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 501.17 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [368.99; 510.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57305e+01 | |||
| Coefficient B | -4.51965e+03 | |||
| Coefficient C | -7.63250e+01 | |||
| Temperature range, min. | 368.99 | |||
| Temperature range, max. | 510.11 | |||
| Pvap | 1.33 | kPa | 368.99 | Calculated Property |
| Pvap | 2.92 | kPa | 384.67 | Calculated Property |
| Pvap | 5.94 | kPa | 400.35 | Calculated Property |
| Pvap | 11.31 | kPa | 416.03 | Calculated Property |
| Pvap | 20.35 | kPa | 431.71 | Calculated Property |
| Pvap | 34.82 | kPa | 447.39 | Calculated Property |
| Pvap | 57.06 | kPa | 463.07 | Calculated Property |
| Pvap | 89.97 | kPa | 478.75 | Calculated Property |
| Pvap | 137.09 | kPa | 494.43 | Calculated Property |
| Pvap | 202.64 | kPa | 510.11 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Heptyl acrylate.
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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