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)=CC=CC(C)=CCOC(=O)CCc1ccccc1

Molecular Weight¹

284.39

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• I : 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
ω	0.6094		Relay (1.0) Calculated Property
ΔfG°	211.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.78	kJ/mol	Joback Calculated Property
ΔvapH°	93.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.631		Crippen Calculated Property
McVol	249.350	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2060.00; 2125.00]
Inp	2060.00		NIST
Inp	2125.00		NIST
Inp	2060.00		NIST
I	2790.00		NIST
Tboil	613.54	K	Relay (1.0) Calculated Property
Tc	815.49	K	Relay (1.0) Calculated Property
Tfus	336.61	K	Relay (1.0) Calculated Property
Vc	0.867	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.62; 784.01]	J/mol×K	[749.33; 963.84]
Cp,gas	695.62	J/mol×K	749.33	Joback Calculated Property
Cp,gas	712.67	J/mol×K	785.08	Joback Calculated Property
Cp,gas	728.67	J/mol×K	820.83	Joback Calculated Property
Cp,gas	743.72	J/mol×K	856.58	Joback Calculated Property
Cp,gas	757.90	J/mol×K	892.34	Joback Calculated Property
Cp,gas	771.30	J/mol×K	928.09	Joback Calculated Property
Cp,gas	784.01	J/mol×K	963.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to dehydrogeranyl 3-phenylpropanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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