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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	150.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.30	kJ/mol	Joback Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	66.36	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.458		Crippen Calculated Property
McVol	236.230	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[2222.70; 2222.70]
Inp	2222.70		NIST
Inp	2222.70		NIST
Tboil	750.14	K	Joback Calculated Property
Tc	989.00	K	Joback Calculated Property
Tfus	469.07	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.15; 840.75]	J/mol×K	[750.14; 989.00]
Cp,gas	713.15	J/mol×K	750.14	Joback Calculated Property
Cp,gas	734.31	J/mol×K	789.95	Joback Calculated Property
Cp,gas	755.03	J/mol×K	829.76	Joback Calculated Property
Cp,gas	775.69	J/mol×K	869.57	Joback Calculated Property
Cp,gas	796.62	J/mol×K	909.38	Joback Calculated Property
Cp,gas	818.19	J/mol×K	949.19	Joback Calculated Property
Cp,gas	840.75	J/mol×K	989.00	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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