Chemical Properties of dehydrogeranyl 3-phenylpropanoate

InChI

InChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-11,14H,12-13,15H2,1-3H3/b9-7?,17-14+

InChI Key

LDBNQBHQAIZJJT-KTQXPTQNSA-N

Formula

C19H24O2

SMILES

CC(C)=C/C=C\C(C)=C\COC(=O)CCc1ccccc1

Molecular Weight¹

284.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	94.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
logPoct/wat	4.631		Crippen Calculated Property
McVol	249.350	ml/mol	McGowan Calculated Property
Inp	[2060.00; 2125.00]
Inp	2060.00		NIST
Inp	2125.00		NIST
I	2790.00		NIST
Tboil	614.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.72; 778.39]	J/mol×K	[731.46; 944.14]
Cp,gas	689.72	J/mol×K	731.46	Joback Calculated Property
Cp,gas	707.00	J/mol×K	766.91	Joback Calculated Property
Cp,gas	723.16	J/mol×K	802.35	Joback Calculated Property
Cp,gas	738.30	J/mol×K	837.80	Joback Calculated Property
Cp,gas	752.49	J/mol×K	873.24	Joback Calculated Property
Cp,gas	765.82	J/mol×K	908.69	Joback Calculated Property
Cp,gas	778.39	J/mol×K	944.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to dehydrogeranyl 3-phenylpropanoate.

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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