Chemical Properties of Heptane, 2-chloro- (CAS 1001-89-4)

InChI

InChI=1S/C7H15Cl/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

InChI Key

PTSLUOSUHFGQHV-UHFFFAOYSA-N

Formula

C7H15Cl

SMILES

CCCCCC(C)Cl

Molecular Weight¹

134.65

CAS

1001-89-4

Other Names

• 2-Chloroheptane

• 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.
• 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	0.3731		Relay (1.0) Calculated Property
ΔfG°	-6.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-229.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	46.58	kJ/mol	Relay (1.0) Calculated Property
IE	10.22	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	3.194		Crippen Calculated Property
McVol	121.730	ml/mol	McGowan Calculated Property
Pc	2715.50	kPa	Joback Calculated Property
Inp	[894.00; 908.00]
Inp	908.00		NIST
Inp	897.00		NIST
Inp	908.00		NIST
Inp	894.00		NIST
Inp	897.00		NIST
Inp	908.00		NIST
I	[1055.00; 1077.00]
I	1055.00		NIST
I	1065.00		NIST
I	1064.00		NIST
I	1077.00		NIST
Tboil	420.02	K	Relay (1.0) Calculated Property
Tc	604.88	K	Relay (1.0) Calculated Property
Tfus	192.70	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.07; 389.27]	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			7.73400e+00
Coefficient B			6.81540e-01
Coefficient C			-3.80600e-04
Coefficient D			8.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.07	J/mol×K	273.00	Calculated Property
Cp,gas	204.78	J/mol×K	353.78	Calculated Property
Cp,gas	238.64	J/mol×K	434.56	Calculated Property
Cp,gas	268.91	J/mol×K	515.33	Calculated Property
Cp,gas	295.84	J/mol×K	596.11	Calculated Property
Cp,gas	319.68	J/mol×K	676.89	Calculated Property
Cp,gas	340.68	J/mol×K	757.67	Calculated Property
Cp,gas	359.12	J/mol×K	838.44	Calculated Property
Cp,gas	375.23	J/mol×K	919.22	Calculated Property
Cp,gas	389.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0087444; 0.0002695]	Pa×s	[183.57; 400.73]	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			-1.11603e+01
Coefficient B			1.17870e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			183.57
Temperature range, max.			400.73
η	0.0087444	Pa×s	183.57	Calculated Property
η	0.0041473	Pa×s	207.70	Calculated Property
η	0.0022974	Pa×s	231.83	Calculated Property
η	0.0014226	Pa×s	255.96	Calculated Property
η	0.0009567	Pa×s	280.09	Calculated Property
η	0.0006852	Pa×s	304.22	Calculated Property
η	0.0005154	Pa×s	328.35	Calculated Property
η	0.0004031	Pa×s	352.47	Calculated Property
η	0.0003254	Pa×s	376.60	Calculated Property
η	0.0002695	Pa×s	400.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[316.52; 452.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48839e+01
Coefficient B			-3.77211e+03
Coefficient C			-5.80910e+01
Temperature range, min.			316.52
Temperature range, max.			452.15
Pvap	1.33	kPa	316.52	Calculated Property
Pvap	2.98	kPa	331.59	Calculated Property
Pvap	6.12	kPa	346.66	Calculated Property
Pvap	11.72	kPa	361.73	Calculated Property
Pvap	21.08	kPa	376.80	Calculated Property
Pvap	35.97	kPa	391.87	Calculated Property
Pvap	58.61	kPa	406.94	Calculated Property
Pvap	91.71	kPa	422.01	Calculated Property
Pvap	138.49	kPa	437.08	Calculated Property
Pvap	202.64	kPa	452.15	Calculated Property

Similar Compounds

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

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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