Chemical Properties of Heptanoyl chloride (CAS 2528-61-2)

InChI

InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

InChI Key

UCVODTZQZHMTPN-UHFFFAOYSA-N

Formula

C7H13ClO

SMILES

CCCCCCC(=O)Cl

Molecular Weight¹

148.63

CAS

2528-61-2

Other Names

• Enanthoyl chloride
• Enanthyl chloride
• n-Heptanoyl chloride

• 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°	-132.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.13	kJ/mol	Joback Calculated Property
ΔfusH°	19.68	kJ/mol	Joback Calculated Property
ΔvapH°	42.31	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	2.722		Crippen Calculated Property
McVol	123.300	ml/mol	McGowan Calculated Property
Pc	2878.12	kPa	Joback Calculated Property
Inp	1012.10		NIST
Tboil	[397.00; 446.20]	K
Tboil	446.20	K	NIST
Tboil	398.40	K	NIST
Tboil	397.00 ± 4.00	K	NIST
Tboil	418.00 ± 4.00	K	NIST
Tc	634.19	K	Joback Calculated Property
Tfus	248.50	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.45; 301.60]	J/mol×K	[450.86; 634.19]
Cp,gas	242.45	J/mol×K	450.86	Joback Calculated Property
Cp,gas	253.46	J/mol×K	481.42	Joback Calculated Property
Cp,gas	263.99	J/mol×K	511.97	Joback Calculated Property
Cp,gas	274.05	J/mol×K	542.53	Joback Calculated Property
Cp,gas	283.67	J/mol×K	573.08	Joback Calculated Property
Cp,gas	292.85	J/mol×K	603.64	Joback Calculated Property
Cp,gas	301.60	J/mol×K	634.19	Joback Calculated Property
η	[0.0003348; 0.0041001]	Pa×s	[248.50; 450.86]
η	0.0041001	Pa×s	248.50	Joback Calculated Property
η	0.0021043	Pa×s	282.23	Joback Calculated Property
η	0.0012453	Pa×s	315.95	Joback Calculated Property
η	0.0008154	Pa×s	349.68	Joback Calculated Property
η	0.0005752	Pa×s	383.41	Joback Calculated Property
η	0.0004293	Pa×s	417.13	Joback Calculated Property
η	0.0003348	Pa×s	450.86	Joback Calculated Property
ΔvapH	63.70	kJ/mol	362.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[336.55; 505.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.29439e+01
Coefficient B			-1.34400e+04
Coefficient C			2.56668e+02
Temperature range, min.			336.55
Temperature range, max.			505.57
Pvap	1.33	kPa	336.55	Calculated Property
Pvap	2.67	kPa	355.33	Calculated Property
Pvap	5.14	kPa	374.11	Calculated Property
Pvap	9.52	kPa	392.89	Calculated Property
Pvap	17.02	kPa	411.67	Calculated Property
Pvap	29.49	kPa	430.45	Calculated Property
Pvap	49.61	kPa	449.23	Calculated Property
Pvap	81.26	kPa	468.01	Calculated Property
Pvap	129.82	kPa	486.79	Calculated Property
Pvap	202.67	kPa	505.57	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoyl chloride.

Sources

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

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