Chemical Properties of Benzene, (1-chloro-1,2-dimethylpropyl)

InChI

InChI=1S/C11H15Cl/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9H,1-3H3

InChI Key

HFXFGGPUUWNIOU-UHFFFAOYSA-N

Formula

C11H15Cl

SMILES

CC(C)C(C)(Cl)c1ccccc1

Molecular Weight¹

182.69

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3267		Relay (1.0) Calculated Property
ΔfH°gas	-70.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.55	kJ/mol	Joback Calculated Property
ΔvapH°	55.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	3.797		Crippen Calculated Property
McVol	154.330	ml/mol	McGowan Calculated Property
Pc	2621.78	kPa	Joback Calculated Property
Inp	[1262.00; 1262.00]
Inp	1262.00		NIST
Inp	1262.00		NIST
Tboil	495.12	K	Relay (1.0) Calculated Property
Tc	715.96	K	Relay (1.0) Calculated Property
Tfus	301.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.37; 418.07]	J/mol×K	[511.72; 737.99]
Cp,gas	333.37	J/mol×K	511.72	Joback Calculated Property
Cp,gas	350.30	J/mol×K	549.43	Joback Calculated Property
Cp,gas	366.01	J/mol×K	587.14	Joback Calculated Property
Cp,gas	380.56	J/mol×K	624.86	Joback Calculated Property
Cp,gas	394.05	J/mol×K	662.57	Joback Calculated Property
Cp,gas	406.52	J/mol×K	700.28	Joback Calculated Property
Cp,gas	418.07	J/mol×K	737.99	Joback Calculated Property
η	[0.0002046; 0.0069791]	Pa×s	[257.49; 511.72]
η	0.0069791	Pa×s	257.49	Joback Calculated Property
η	0.0025575	Pa×s	299.86	Joback Calculated Property
η	0.0012017	Pa×s	342.23	Joback Calculated Property
η	0.0006669	Pa×s	384.61	Joback Calculated Property
η	0.0004160	Pa×s	426.98	Joback Calculated Property
η	0.0002825	Pa×s	469.35	Joback Calculated Property
η	0.0002046	Pa×s	511.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-chloro-1,2-dimethylpropyl).

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.
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