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

106.59

CAS

753-89-9

Other Names

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

• 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).
• 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
ΔfG°	-17.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.02	kJ/mol	Joback Calculated Property
ΔfusH°	5.49	kJ/mol	Joback Calculated Property
ΔvapH°	29.81	kJ/mol	Joback Calculated Property
log10WS	-1.83		Crippen 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	532.51	K	Joback Calculated Property
Tfus	253.00 ± 4.00	K	NIST
Vc	0.353	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.66; 207.00]	J/mol×K	[348.00; 532.51]
Cp,gas	151.66	J/mol×K	348.00	Joback Calculated Property
Cp,gas	162.20	J/mol×K	378.75	Joback Calculated Property
Cp,gas	172.18	J/mol×K	409.50	Joback Calculated Property
Cp,gas	181.62	J/mol×K	440.25	Joback Calculated Property
Cp,gas	190.56	J/mol×K	471.01	Joback Calculated Property
Cp,gas	199.01	J/mol×K	501.76	Joback Calculated Property
Cp,gas	207.00	J/mol×K	532.51	Joback Calculated Property
η	[0.0003465; 0.0090043]	Pa×s	[178.45; 348.00]
η	0.0090043	Pa×s	178.45	Joback Calculated Property
η	0.0036100	Pa×s	206.71	Joback Calculated Property
η	0.0018032	Pa×s	234.97	Joback Calculated Property
η	0.0010454	Pa×s	263.23	Joback Calculated Property
η	0.0006737	Pa×s	291.48	Joback Calculated Property
η	0.0004692	Pa×s	319.74	Joback Calculated Property
η	0.0003465	Pa×s	348.00	Joback Calculated Property
ΔvapH	34.90	kJ/mol	337.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.50; 202.63]	kPa	[253.15; 379.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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