Chemical Properties of 2-Propenoic acid, 3-phenyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- (CAS 6330-67-2)

InChI

InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3/b10-9+

InChI Key

ACTRLDZRLKIJEH-MDZDMXLPSA-N

Formula

C19H24O2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)C=Cc1ccccc1)C2

Molecular Weight¹

284.39

CAS

6330-67-2

Other Names

• Bornyl cinnamate
• Cinnamic acid, 2-bornyl ester, endo-
• Bornyl cinnamate 1
• Bornyl cinnamate 2
• endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl cinnamate
• (1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl cinnamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.29	kJ/mol	Joback Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.458		Crippen Calculated Property
McVol	236.230	ml/mol	McGowan Calculated Property
Inp	[2222.70; 2222.70]
Inp	2222.70		NIST
Inp	2222.70		NIST
Tboil	611.60	K	Relay (1.0) Calculated Property
Tfus	400.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[298.52; 847.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.30770e+02
Coefficient B			2.51816e+00
Coefficient C			-2.37860e-03
Coefficient D			9.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.52	J/mol×K	273.00	Calculated Property
Cp,gas	403.97	J/mol×K	353.78	Calculated Property
Cp,gas	491.39	J/mol×K	434.56	Calculated Property
Cp,gas	563.75	J/mol×K	515.33	Calculated Property
Cp,gas	624.01	J/mol×K	596.11	Calculated Property
Cp,gas	675.14	J/mol×K	676.89	Calculated Property
Cp,gas	720.11	J/mol×K	757.67	Calculated Property
Cp,gas	761.90	J/mol×K	838.44	Calculated Property
Cp,gas	803.47	J/mol×K	919.22	Calculated Property
Cp,gas	847.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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