Chemical Properties of Propane, 1-chloro-2,2-dimethyl- (CAS 753-89-9)

InChI

InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3

InChI Key

JEKYMVBQWWZVHO-UHFFFAOYSA-N

Formula

C5H11Cl

SMILES

CC(C)(C)CCl

Molecular Weight¹

106.60

CAS

753-89-9

Other Names

• 1-Chloro-2,2-dimethylpropane
• Neopentyl chloride
• t-C4H9CH2Cl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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
ω	0.2248		Relay (1.0) Calculated Property
ΔfG°	-17.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.49	kJ/mol	Joback Calculated Property
ΔvapH°	32.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.41	eV	Relay (1.0) Calculated Property
log10WS	-2.96		Relay (1.0) Calculated Property
logPoct/wat	2.271		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	3395.98	kPa	Joback Calculated Property
Inp	[644.00; 654.00]
Inp	644.00		NIST
Inp	654.00		NIST
Inp	654.00		NIST
Inp	654.00		NIST
Tboil	[357.15; 357.55]	K
Tboil	357.50	K	NIST
Tboil	357.15 ± 1.50	K	NIST
Tboil	357.55 ± 0.70	K	NIST
Tc	545.18	K	Relay (1.0) Calculated Property
Tfus	253.00 ± 4.00	K	NIST
Vc	0.338	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.50; 287.02]	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			-1.32390e+01
Coefficient B			6.11460e-01
Coefficient C			-4.40400e-04
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.50	J/mol×K	273.00	Calculated Property
Cp,gas	153.68	J/mol×K	353.78	Calculated Property
Cp,gas	179.91	J/mol×K	434.56	Calculated Property
Cp,gas	202.59	J/mol×K	515.33	Calculated Property
Cp,gas	222.13	J/mol×K	596.11	Calculated Property
Cp,gas	238.94	J/mol×K	676.89	Calculated Property
Cp,gas	253.42	J/mol×K	757.67	Calculated Property
Cp,gas	265.99	J/mol×K	838.44	Calculated Property
Cp,gas	277.06	J/mol×K	919.22	Calculated Property
Cp,gas	287.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012556; 0.0002755]	Pa×s	[253.00; 372.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13960e+01
Coefficient B			1.19310e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			253.00
Temperature range, max.			372.97
η	0.0012556	Pa×s	253.00	Calculated Property
η	0.0009916	Pa×s	266.33	Calculated Property
η	0.0008010	Pa×s	279.66	Calculated Property
η	0.0006596	Pa×s	292.99	Calculated Property
η	0.0005525	Pa×s	306.32	Calculated Property
η	0.0004697	Pa×s	319.65	Calculated Property
η	0.0004045	Pa×s	332.98	Calculated Property
η	0.0003524	Pa×s	346.31	Calculated Property
η	0.0003101	Pa×s	359.64	Calculated Property
η	0.0002755	Pa×s	372.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.50; 202.63]	kPa	[253.15; 379.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54494e+01
Coefficient B			-3.43323e+03
Coefficient C			-4.05210e+01
Temperature range, min.			253.15
Temperature range, max.			379.17
Pvap	0.50	kPa	253.15	Calculated Property
Pvap	1.35	kPa	267.15	Calculated Property
Pvap	3.26	kPa	281.15	Calculated Property
Pvap	7.15	kPa	295.16	Calculated Property
Pvap	14.43	kPa	309.16	Calculated Property
Pvap	27.18	kPa	323.16	Calculated Property
Pvap	48.22	kPa	337.16	Calculated Property
Pvap	81.24	kPa	351.17	Calculated Property
Pvap	130.86	kPa	365.17	Calculated Property
Pvap	202.63	kPa	379.17	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-chloro-2,2-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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