Chemical Properties of Cyclopropane, 1,1-dichloro-2-(4-phenylbutyl)

InChI

InChI=1S/C13H16Cl2/c14-13(15)10-12(13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2

InChI Key

FDUMPPULNMGIOO-UHFFFAOYSA-N

Formula

C13H16Cl2

SMILES

ClC1(Cl)CC1CCCCc1ccccc1

Molecular Weight¹

243.17

• 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	0.4844		Relay (1.0) Calculated Property
ΔfG°	194.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-6.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.77	kJ/mol	Joback Calculated Property
ΔvapH°	77.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	4.593		Crippen Calculated Property
McVol	183.890	ml/mol	McGowan Calculated Property
Pc	2340.56	kPa	Joback Calculated Property
Inp	[1685.00; 1685.00]
Inp	1685.00		NIST
Inp	1685.00		NIST
I	[2191.00; 2191.00]
I	2191.00		NIST
I	2191.00		NIST
Tboil	565.12	K	Relay (1.0) Calculated Property
Tc	799.72	K	Relay (1.0) Calculated Property
Tfus	263.58	K	Relay (1.0) Calculated Property
Vc	0.679	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.95; 525.12]	J/mol×K	[600.69; 829.37]
Cp,gas	439.95	J/mol×K	600.69	Joback Calculated Property
Cp,gas	456.34	J/mol×K	638.80	Joback Calculated Property
Cp,gas	471.61	J/mol×K	676.92	Joback Calculated Property
Cp,gas	485.93	J/mol×K	715.03	Joback Calculated Property
Cp,gas	499.50	J/mol×K	753.15	Joback Calculated Property
Cp,gas	512.51	J/mol×K	791.26	Joback Calculated Property
Cp,gas	525.12	J/mol×K	829.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane, 1,1-dichloro-2-(4-phenylbutyl).

Sources

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

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