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

243.18

• 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°	78.31	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	801.18	K	Relay (1.0) Calculated Property
Tfus	260.22	K	Relay (1.0) Calculated Property
Vc	0.680	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.71; 581.75]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.11346e+02
Coefficient B			1.58980e+00
Coefficient C			-1.45280e-03
Coefficient D			5.56100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.71	J/mol×K	273.00	Calculated Property
Cp,gas	293.88	J/mol×K	353.78	Calculated Property
Cp,gas	350.80	J/mol×K	434.56	Calculated Property
Cp,gas	398.22	J/mol×K	515.33	Calculated Property
Cp,gas	437.90	J/mol×K	596.11	Calculated Property
Cp,gas	471.60	J/mol×K	676.89	Calculated Property
Cp,gas	501.07	J/mol×K	757.67	Calculated Property
Cp,gas	528.09	J/mol×K	838.44	Calculated Property
Cp,gas	554.39	J/mol×K	919.22	Calculated Property
Cp,gas	581.75	J/mol×K	1000.00	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.