- InChI
- InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3
- InChI Key
- XRAMJHXWXCMGJM-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COC(=O)CCc1ccc(O)cc1
- Molecular Weight1
- 180.20
- CAS
- 5597-50-2
- Other Names
-
- Hydrocinnamic acid, p-hydroxy-, methyl ester
- Methyl p-hydroxyhydrocinnamate
- Methyl 3-(p-hydroxyphenyl)propionate
- Methyl 3-(4-hydroxyphenyl)propionate
- Methyl 4-hydroxyhydrocinnamate
- Methyl 3-(4-hydroxyphenyl)propanoate
- 3-(4-Hydroxyphenyl)propionic acid, methyl ester
- Propanoic acid, 3-(4-hydroxyphenyl), methyl ester
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -242.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 1.498 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Inp | 1595.20 | NIST | |
| Tboil | 611.79 | K | Joback Calculated Property |
| Tc | 835.24 | K | Joback Calculated Property |
| Tfus | 412.76 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.48; 412.55] | J/mol×K | [611.79; 835.24] | 
|
| Cp,gas | 350.48 | J/mol×K | 611.79 | Joback Calculated Property |
| Cp,gas | 362.58 | J/mol×K | 649.03 | Joback Calculated Property |
| Cp,gas | 373.90 | J/mol×K | 686.27 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 723.51 | Joback Calculated Property |
| Cp,gas | 394.42 | J/mol×K | 760.76 | Joback Calculated Property |
| Cp,gas | 403.75 | J/mol×K | 798.00 | Joback Calculated Property |
| Cp,gas | 412.55 | J/mol×K | 835.24 | Joback Calculated Property |
| η | [0.0000320; 0.0008548] | Pa×s | [412.76; 611.79] |
|
| η | 0.0008548 | Pa×s | 412.76 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 445.93 | Joback Calculated Property |
| η | 0.0002113 | Pa×s | 479.10 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 512.27 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 545.45 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 578.62 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 611.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 4-hydroxy-, methyl ester.
Sources
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