Chemical Properties of Pentanoyl chloride (CAS 638-29-9)

InChI

InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

InChI Key

XGISHOFUAFNYQF-UHFFFAOYSA-N

Formula

C5H9ClO

SMILES

CCCCC(=O)Cl

Molecular Weight¹

120.58

CAS

638-29-9

Other Names

• UN 2502
• Valeroyl chloride
• Valeryl chloride
• n-Valeroyl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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°	-149.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.85	kJ/mol	Joback Calculated Property
ΔfusH°	14.50	kJ/mol	Joback Calculated Property
ΔvapH°	37.86	kJ/mol	Joback Calculated Property
log10WS	-1.84		Crippen Calculated Property
logPoct/wat	1.942		Crippen Calculated Property
McVol	95.120	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	809.40		NIST
Tboil	[399.20; 400.40]	K
Tboil	399.20	K	NIST
Tboil	400.40 ± 0.60	K	NIST
Tc	591.48	K	Joback Calculated Property
Tfus	225.96	K	Joback Calculated Property
Vc	0.370	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.17; 211.83]	J/mol×K	[405.10; 591.48]
Cp,gas	166.17	J/mol×K	405.10	Joback Calculated Property
Cp,gas	174.65	J/mol×K	436.16	Joback Calculated Property
Cp,gas	182.77	J/mol×K	467.23	Joback Calculated Property
Cp,gas	190.54	J/mol×K	498.29	Joback Calculated Property
Cp,gas	197.97	J/mol×K	529.35	Joback Calculated Property
Cp,gas	205.06	J/mol×K	560.42	Joback Calculated Property
Cp,gas	211.83	J/mol×K	591.48	Joback Calculated Property
Cp,liquid	187.90	J/mol×K	298.00	NIST
η	[0.0003596; 0.0037554]	Pa×s	[225.96; 405.10]
η	0.0037554	Pa×s	225.96	Joback Calculated Property
η	0.0020219	Pa×s	255.82	Joback Calculated Property
η	0.0012390	Pa×s	285.67	Joback Calculated Property
η	0.0008330	Pa×s	315.53	Joback Calculated Property
η	0.0005998	Pa×s	345.39	Joback Calculated Property
η	0.0004551	Pa×s	375.24	Joback Calculated Property
η	0.0003596	Pa×s	405.10	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.91; 202.64]	kPa	[307.00; 447.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.66775e+01
Coefficient B			-4.93981e+03
Coefficient C			-1.25600e+01
Temperature range, min.			307.00
Temperature range, max.			447.17
Pvap	0.91	kPa	307.00	Calculated Property
Pvap	2.10	kPa	322.57	Calculated Property
Pvap	4.51	kPa	338.15	Calculated Property
Pvap	9.01	kPa	353.72	Calculated Property
Pvap	16.95	kPa	369.30	Calculated Property
Pvap	30.25	kPa	384.87	Calculated Property
Pvap	51.54	kPa	400.45	Calculated Property
Pvap	84.26	kPa	416.02	Calculated Property
Pvap	132.82	kPa	431.60	Calculated Property
Pvap	202.64	kPa	447.17	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoyl chloride.

Sources

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

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