Chemical Properties of 3,7-Dimethyloct-6-enyl 3-chlorobenzoate

InChI

InChI=1S/C17H23ClO2/c1-13(2)6-4-7-14(3)10-11-20-17(19)15-8-5-9-16(18)12-15/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3

InChI Key

WEZDEOWFQYRKRF-UHFFFAOYSA-N

Formula

C17H23ClO2

SMILES

CC(C)=CCCC(C)CCOC(=O)c1cccc(Cl)c1

Molecular Weight¹

294.82

• 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°	18.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-327.54	kJ/mol	Joback Calculated Property
ΔfusH°	35.79	kJ/mol	Joback Calculated Property
ΔvapH°	69.57	kJ/mol	Joback Calculated Property
log10WS	-5.78		Crippen Calculated Property
logPoct/wat	5.269		Crippen Calculated Property
McVol	242.010	ml/mol	McGowan Calculated Property
Pc	1652.46	kPa	Joback Calculated Property
Inp	[2109.00; 2109.00]
Inp	2109.00		NIST
Inp	2109.00		NIST
Tboil	737.34	K	Joback Calculated Property
Tc	947.69	K	Joback Calculated Property
Tfus	388.33	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.32; 744.39]	J/mol×K	[737.34; 947.69]
Cp,gas	661.32	J/mol×K	737.34	Joback Calculated Property
Cp,gas	677.55	J/mol×K	772.40	Joback Calculated Property
Cp,gas	692.77	J/mol×K	807.46	Joback Calculated Property
Cp,gas	707.01	J/mol×K	842.52	Joback Calculated Property
Cp,gas	720.33	J/mol×K	877.58	Joback Calculated Property
Cp,gas	732.78	J/mol×K	912.63	Joback Calculated Property
Cp,gas	744.39	J/mol×K	947.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyloct-6-enyl 3-chlorobenzoate.

Sources

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

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