Chemical Properties of Benzenepropanoic acid, 3,7-dimethylocta-2,6-dienyl ester (CAS 74339-36-9)

InChI

InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14H,7,9,12-13,15H2,1-3H3/b17-14+

InChI Key

RNXGADQWNZYSFZ-SAPNQHFASA-N

Formula

C19H26O2

SMILES

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

Molecular Weight¹

286.41

CAS

74339-36-9

Other Names

• geranyl 3-phenylpropanoate

• 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.
• 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
ΔfG°	130.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-228.90	kJ/mol	Joback Calculated Property
ΔfusH°	39.58	kJ/mol	Joback Calculated Property
ΔvapH°	69.40	kJ/mol	Joback Calculated Property
log10WS	-5.45		Crippen Calculated Property
logPoct/wat	4.855		Crippen Calculated Property
McVol	253.650	ml/mol	McGowan Calculated Property
Pc	1536.66	kPa	Joback Calculated Property
Inp	[2125.00; 2125.00]
Inp	2125.00		NIST
Inp	2125.00		NIST
I	[2740.00; 2765.00]
I	2740.00		NIST
I	2765.00		NIST
Tboil	745.17	K	Joback Calculated Property
Tc	952.83	K	Joback Calculated Property
Tfus	364.39	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.77; 810.37]	J/mol×K	[745.17; 952.83]
Cp,gas	719.77	J/mol×K	745.17	Joback Calculated Property
Cp,gas	737.28	J/mol×K	779.78	Joback Calculated Property
Cp,gas	753.73	J/mol×K	814.39	Joback Calculated Property
Cp,gas	769.20	J/mol×K	849.00	Joback Calculated Property
Cp,gas	783.75	J/mol×K	883.61	Joback Calculated Property
Cp,gas	797.45	J/mol×K	918.22	Joback Calculated Property
Cp,gas	810.37	J/mol×K	952.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 3,7-dimethylocta-2,6-dienyl ester.

Sources

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

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