Chemical Properties of Heptane, 3-chloro-2-methyl (CAS ---)

InChI

InChI=1S/C8H17Cl/c1-4-5-6-8(9)7(2)3/h7-8H,4-6H2,1-3H3

InChI Key

YDUVDHAEYHZJQQ-UHFFFAOYSA-N

Formula

C8H17Cl

SMILES

CCCCC(Cl)C(C)C

Molecular Weight¹

148.68

CAS

---

Other Names

• 3-Chloro-2-methylheptane

• 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).
• 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	0.3664		Relay (1.0) Calculated Property
ΔfG°	-0.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-245.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.63	kJ/mol	Joback Calculated Property
ΔvapH°	45.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	3.440		Crippen Calculated Property
McVol	135.820	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[947.00; 947.00]
Inp	947.00		NIST
Inp	947.00		NIST
Inp	947.00		NIST
Tboil	425.18	K	Relay (1.0) Calculated Property
Tc	611.11	K	Relay (1.0) Calculated Property
Tfus	209.31	K	Relay (1.0) Calculated Property
Vc	0.497	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.83; 335.90]	J/mol×K	[418.99; 597.64]
Cp,gas	262.83	J/mol×K	418.99	Joback Calculated Property
Cp,gas	276.35	J/mol×K	448.77	Joback Calculated Property
Cp,gas	289.32	J/mol×K	478.54	Joback Calculated Property
Cp,gas	301.74	J/mol×K	508.32	Joback Calculated Property
Cp,gas	313.63	J/mol×K	538.09	Joback Calculated Property
Cp,gas	325.02	J/mol×K	567.87	Joback Calculated Property
Cp,gas	335.90	J/mol×K	597.64	Joback Calculated Property
η	[0.0002571; 0.0164704]	Pa×s	[179.84; 418.99]
η	0.0164704	Pa×s	179.84	Joback Calculated Property
η	0.0043901	Pa×s	219.70	Joback Calculated Property
η	0.0017563	Pa×s	259.56	Joback Calculated Property
η	0.0008967	Pa×s	299.42	Joback Calculated Property
η	0.0005362	Pa×s	339.27	Joback Calculated Property
η	0.0003572	Pa×s	379.13	Joback Calculated Property
η	0.0002571	Pa×s	418.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[328.12; 483.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39315e+01
Coefficient B			-3.62925e+03
Coefficient C			-6.21220e+01
Temperature range, min.			328.12
Temperature range, max.			483.15
Pvap	1.33	kPa	328.12	Calculated Property
Pvap	3.06	kPa	345.35	Calculated Property
Pvap	6.37	kPa	362.57	Calculated Property
Pvap	12.27	kPa	379.80	Calculated Property
Pvap	22.08	kPa	397.02	Calculated Property
Pvap	37.52	kPa	414.25	Calculated Property
Pvap	60.67	kPa	431.47	Calculated Property
Pvap	94.00	kPa	448.70	Calculated Property
Pvap	140.30	kPa	465.92	Calculated Property
Pvap	202.66	kPa	483.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3-chloro-2-methyl.

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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