Chemical Properties of Pentanal (CAS 110-62-3)

InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

InChI Key

HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Formula

C5H10O

SMILES

CCCCC=O

Molecular Weight¹

86.13

CAS

110-62-3

Other Names

• 1-Pentanal
• 1-butanecarbaldehyde
• Amyl aldehyde
• Butyl formal
• N-PENTANAL
• NSC 35404
• Pentan-1-al
• Pentylaldehyde
• UN 2058
• VALERAL
• VALERIC ACID ALDEHYDE
• Valeraldehyde
• Valerianic aldehyde
• Valeric aldehyde
• Valeryl aldehyde
• butanecarbaldehyde
• n-C4H9CHO
• n-Valeraldehyde
• n-Valeric aldehyde
• pentanal (valeraldehyde)
• valderaldehyde

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4000		KDB
PAff	796.60	kJ/mol	NIST
BasG	764.80	kJ/mol	NIST
μ	2.60	debye	KDB
ΔfG°	-108.40	kJ/mol	KDB
ΔfH°gas	-228.00	kJ/mol	KDB
ΔfusH°	10.99	kJ/mol	Joback Calculated Property
ΔvapH°	[38.10; 38.60]	kJ/mol
ΔvapH°	38.60	kJ/mol	NIST
ΔvapH°	38.30	kJ/mol	NIST
ΔvapH°	38.10 ± 0.10	kJ/mol	NIST
IE	[9.65; 9.90]	eV
IE	9.74 ± 0.04	eV	NIST
IE	9.72	eV	NIST
IE	9.89 ± 0.12	eV	NIST
IE	9.90	eV	NIST
IE	9.65 ± 0.02	eV	NIST
IE	9.72 ± 0.06	eV	NIST
IE	9.75 ± 0.01	eV	NIST
IE	9.77 ± 0.01	eV	NIST
IE	9.82 ± 0.05	eV	NIST
IE	9.82	eV	NIST
log10WS	[-0.85; -0.85]
log10WS	-0.85		Aq. Sol...
log10WS	-0.85		Estimat...
logPoct/wat	1.375		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
Pc	[3970.00; 3970.00]	kPa
Pc	3970.00	kPa	KDB
Pc	3970.00 ± 100.00	kPa	NIST
ρc	274.76 ± 5.17	kg/m3	NIST
Inp	[650.00; 738.00]
Inp	677.34		NIST
Inp	673.91		NIST
Inp	674.37		NIST
Inp	675.18		NIST
Inp	676.24		NIST
Inp	677.00		NIST
Inp	674.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	664.10		NIST
Inp	673.50		NIST
Inp	679.00		NIST
Inp	688.00		NIST
Inp	666.00		NIST
Inp	672.00		NIST
Inp	661.00		NIST
Inp	670.00		NIST
Inp	663.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	679.00		NIST
Inp	680.00		NIST
Inp	681.00		NIST
Inp	678.00		NIST
Inp	684.00		NIST
Inp	686.00		NIST
Inp	675.00		NIST
Inp	678.00		NIST
Inp	696.00		NIST
Inp	699.00		NIST
Inp	695.00		NIST
Inp	700.00		NIST
Inp	691.00		NIST
Inp	698.00		NIST
Inp	722.00		NIST
Inp	722.00		NIST
Inp	705.00		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	690.90		NIST
Inp	698.00		NIST
Inp	707.00		NIST
Inp	708.00		NIST
Inp	704.00		NIST
Inp	702.00		NIST
Inp	658.00		NIST
Inp	690.00		NIST
Inp	705.00		NIST
Inp	678.00		NIST
Inp	Outlier 657.00		NIST
Inp	709.00		NIST
Inp	680.00		NIST
Inp	709.00		NIST
Inp	698.00		NIST
Inp	674.00		NIST
Inp	674.00		NIST
Inp	678.10		NIST
Inp	696.00		NIST
Inp	679.00		NIST
Inp	700.00		NIST
Inp	700.00		NIST
Inp	687.00		NIST
Inp	719.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	675.00		NIST
Inp	675.00		NIST
Inp	Outlier 732.00		NIST
Inp	702.00		NIST
Inp	687.00		NIST
Inp	694.00		NIST
Inp	674.00		NIST
Inp	715.00		NIST
Inp	696.00		NIST
Inp	703.00		NIST
Inp	699.00		NIST
Inp	711.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	710.00		NIST
Inp	668.00		NIST
Inp	690.00		NIST
Inp	711.00		NIST
Inp	674.00		NIST
Inp	672.00		NIST
Inp	683.00		NIST
Inp	Outlier 650.00		NIST
Inp	702.00		NIST
Inp	703.00		NIST
Inp	701.00		NIST
Inp	705.00		NIST
Inp	697.00		NIST
Inp	Outlier 738.00		NIST
Inp	670.00		NIST
Inp	701.00		NIST
Inp	706.00		NIST
Inp	670.00		NIST
Inp	705.00		NIST
Inp	696.00		NIST
Inp	Outlier 732.00		NIST
Inp	708.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	689.00		NIST
Inp	680.00		NIST
Inp	705.00		NIST
Inp	Outlier 732.00		NIST
Inp	697.00		NIST
Inp	696.00		NIST
Inp	699.00		NIST
Inp	708.00		NIST
Inp	669.00		NIST
Inp	715.00		NIST
Inp	705.00		NIST
Inp	698.00		NIST
Inp	666.00		NIST
Inp	669.00		NIST
Inp	672.00		NIST
Inp	697.00		NIST
Inp	700.00		NIST
Inp	698.00		NIST
Inp	697.00		NIST
Inp	666.99		NIST
Inp	693.00		NIST
Inp	689.00		NIST
Inp	668.00		NIST
Inp	695.00		NIST
Inp	699.00		NIST
Inp	674.00		NIST
Inp	668.00		NIST
Inp	703.00		NIST
Inp	696.00		NIST
Inp	700.00		NIST
Inp	700.00		NIST
Inp	676.00		NIST
Inp	705.00		NIST
Inp	697.00		NIST
Inp	700.00		NIST
Inp	670.00		NIST
Inp	694.00		NIST
Inp	668.00		NIST
Inp	693.00		NIST
Inp	694.00		NIST
Inp	694.00		NIST
Inp	673.00		NIST
Inp	671.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	667.00		NIST
Inp	669.00		NIST
Inp	669.00		NIST
Inp	684.00		NIST
Inp	702.00		NIST
Inp	704.00		NIST
Inp	706.00		NIST
Inp	Outlier 732.00		NIST
Inp	690.00		NIST
Inp	706.00		NIST
Inp	698.00		NIST
Inp	717.00		NIST
Inp	668.00		NIST
Inp	701.00		NIST
Inp	704.00		NIST
Inp	665.00		NIST
Inp	704.00		NIST
Inp	715.00		NIST
Inp	673.00		NIST
Inp	698.00		NIST
Inp	715.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	698.00		NIST
Inp	700.00		NIST
Inp	700.00		NIST
Inp	700.00		NIST
Inp	705.00		NIST
Inp	676.00		NIST
Inp	661.00		NIST
Inp	Outlier 732.00		NIST
Inp	686.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	674.00		NIST
Inp	Outlier 727.00		NIST
Inp	669.00		NIST
Inp	694.00		NIST
Inp	674.00		NIST
Inp	700.00		NIST
Inp	699.00		NIST
Inp	695.00		NIST
Inp	707.00		NIST
Inp	709.00		NIST
Inp	680.00		NIST
Inp	678.00		NIST
Inp	722.00		NIST
Inp	683.00		NIST
Inp	677.00		NIST
Inp	700.00		NIST
Inp	680.00		NIST
Inp	671.00		NIST
Inp	671.00		NIST
Inp	677.00		NIST
Inp	700.00		NIST
Inp	668.00		NIST
Inp	694.00		NIST
Inp	675.00		NIST
Inp	677.00		NIST
Inp	694.00		NIST
Inp	685.00		NIST
Inp	679.00		NIST
Inp	696.00		NIST
Inp	698.00		NIST
Inp	697.00		NIST
Inp	704.00		NIST
Inp	678.00		NIST
Inp	679.00		NIST
Inp	692.00		NIST
Inp	Outlier 732.00		NIST
Inp	715.00		NIST
Inp	711.00		NIST
I	[929.00; 1013.00]
I	1013.00		NIST
I	998.10		NIST
I	1002.80		NIST
I	1007.40		NIST
I	979.00		NIST
I	979.00		NIST
I	974.00		NIST
I	950.00		NIST
I	951.00		NIST
I	978.00		NIST
I	974.00		NIST
I	981.00		NIST
I	984.00		NIST
I	984.00		NIST
I	984.00		NIST
I	976.00		NIST
I	984.00		NIST
I	955.00		NIST
I	950.00		NIST
I	980.00		NIST
I	1003.00		NIST
I	999.00		NIST
I	982.00		NIST
I	971.00		NIST
I	987.00		NIST
I	984.00		NIST
I	968.00		NIST
I	968.00		NIST
I	968.00		NIST
I	978.00		NIST
I	986.00		NIST
I	1004.00		NIST
I	982.00		NIST
I	982.00		NIST
I	982.00		NIST
I	983.00		NIST
I	977.00		NIST
I	985.00		NIST
I	983.00		NIST
I	984.00		NIST
I	982.00		NIST
I	992.00		NIST
I	972.00		NIST
I	964.00		NIST
I	985.00		NIST
I	991.00		NIST
I	971.00		NIST
I	973.00		NIST
I	1004.00		NIST
I	1005.00		NIST
I	1006.00		NIST
I	989.00		NIST
I	980.00		NIST
I	977.00		NIST
I	Outlier 934.00		NIST
I	953.00		NIST
I	986.00		NIST
I	979.00		NIST
I	Outlier 935.00		NIST
I	Outlier 929.00		NIST
I	941.00		NIST
I	984.00		NIST
I	1004.00		NIST
I	1011.00		NIST
I	Outlier 935.00		NIST
I	991.00		NIST
I	Outlier 934.00		NIST
I	981.00		NIST
I	977.00		NIST
I	979.00		NIST
I	970.00		NIST
I	953.00		NIST
I	981.00		NIST
I	974.00		NIST
I	993.00		NIST
I	971.00		NIST
I	982.00		NIST
I	983.00		NIST
I	973.00		NIST
I	967.00		NIST
I	967.00		NIST
I	960.00		NIST
I	963.00		NIST
I	1003.00		NIST
I	960.00		NIST
I	960.00		NIST
I	1002.00		NIST
I	975.00		NIST
I	973.00		NIST
I	979.00		NIST
I	975.00		NIST
I	975.00		NIST
I	976.00		NIST
I	951.00		NIST
I	954.00		NIST
I	970.00		NIST
I	982.00		NIST
I	1005.00		NIST
I	988.00		NIST
I	Outlier 937.00		NIST
I	976.00		NIST
I	983.00		NIST
I	977.00		NIST
I	985.00		NIST
I	972.00		NIST
I	943.00		NIST
I	983.00		NIST
I	973.00		NIST
I	Outlier 932.00		NIST
I	944.00		NIST
I	993.00		NIST
I	998.00		NIST
I	967.00		NIST
I	1002.00		NIST
I	Outlier 935.00		NIST
I	988.00		NIST
I	975.00		NIST
I	948.00		NIST
I	963.00		NIST
I	967.00		NIST
I	976.00		NIST
I	973.00		NIST
I	1002.00		NIST
I	983.00		NIST
I	982.00		NIST
S°gas	379.90 ± 3.30	J/mol×K	NIST
S°liquid	[273.59; 273.60]	J/mol×K
S°liquid	273.59	J/mol×K	NIST
S°liquid	273.60	J/mol×K	NIST
Tboil	[373.65; 376.90]	K
Tboil	376.00	K	KDB
Tboil	376.20	K	Isobari...
Tboil	376.20	K	NIST
Tboil	375.83 ± 0.02	K	NIST
Tboil	376.15	K	NIST
Tboil	376.15 ± 2.00	K	NIST
Tboil	375.65 ± 2.00	K	NIST
Tboil	375.15 ± 2.00	K	NIST
Tboil	376.00 ± 4.00	K	NIST
Tboil	376.65 ± 1.50	K	NIST
Tboil	375.65 ± 2.00	K	NIST
Tboil	375.35 ± 1.50	K	NIST
Tboil	374.15 ± 3.00	K	NIST
Tboil	375.65 ± 3.00	K	NIST
Tboil	375.25 ± 2.00	K	NIST
Tboil	Outlier 373.65 ± 3.00	K	NIST
Tboil	375.90 ± 2.00	K	NIST
Tboil	376.90 ± 1.00	K	NIST
Tboil	376.15 ± 2.00	K	NIST
Tboil	374.65 ± 3.00	K	NIST
Tboil	376.55 ± 3.00	K	NIST
Tboil	375.15 ± 3.00	K	NIST
Tc	[566.10; 568.30]	K
Tc	566.10	K	KDB
Tc	568.30 ± 2.00	K	NIST
Tc	566.10 ± 0.80	K	NIST
Tfus	[181.60; 191.59]	K
Tfus	181.60	K	KDB
Tfus	181.65	K	Aq. Sol...
Tfus	191.59	K	NIST
Tfus	191.59 ± 0.10	K	NIST
Tfus	182.15	K	NIST
Tfus	189.80 ± 1.00	K	NIST
Tfus	189.80 ± 0.60	K	NIST
Tfus	181.70 ± 3.00	K	NIST
Vc	0.313	m3/kmol	KDB
Zc	0.2640010		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.57; 190.38]	J/mol×K	[362.46; 535.33]
Cp,gas	144.57	J/mol×K	362.46	Joback Calculated Property
Cp,gas	152.96	J/mol×K	391.27	Joback Calculated Property
Cp,gas	161.04	J/mol×K	420.08	Joback Calculated Property
Cp,gas	168.81	J/mol×K	448.89	Joback Calculated Property
Cp,gas	176.29	J/mol×K	477.71	Joback Calculated Property
Cp,gas	183.48	J/mol×K	506.52	Joback Calculated Property
Cp,gas	190.38	J/mol×K	535.33	Joback Calculated Property
Cp,liquid	[171.50; 174.39]	J/mol×K	[298.00; 298.15]
Cp,liquid	171.50	J/mol×K	298.00	NIST
Cp,liquid	174.39	J/mol×K	298.15	NIST
η	[0.0003071; 0.0037054]	Pa×s	[188.11; 362.46]
η	0.0037054	Pa×s	188.11	Joback Calculated Property
η	0.0018535	Pa×s	217.17	Joback Calculated Property
η	0.0010918	Pa×s	246.23	Joback Calculated Property
η	0.0007192	Pa×s	275.28	Joback Calculated Property
η	0.0005130	Pa×s	304.34	Joback Calculated Property
η	0.0003882	Pa×s	333.40	Joback Calculated Property
η	0.0003071	Pa×s	362.46	Joback Calculated Property
ΔfusH	15.00	kJ/mol	151.60	NIST
ΔvapH	[33.64; 37.30]	kJ/mol	[341.00; 376.00]
ΔvapH	37.30	kJ/mol	341.00	NIST
ΔvapH	33.64	kJ/mol	376.00	KDB
Pvap	101.30	kPa	376.20	Isobari...
ρl	810.00	kg/m3	293.00	KDB
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[277.13; 400.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47593e+01
Coefficient B			-3.35057e+03
Coefficient C			-4.56010e+01
Temperature range, min.			277.13
Temperature range, max.			400.24
Pvap	1.33	kPa	277.13	Calculated Property
Pvap	2.99	kPa	290.81	Calculated Property
Pvap	6.15	kPa	304.49	Calculated Property
Pvap	11.78	kPa	318.17	Calculated Property
Pvap	21.20	kPa	331.85	Calculated Property
Pvap	36.16	kPa	345.52	Calculated Property
Pvap	58.86	kPa	359.20	Calculated Property
Pvap	92.00	kPa	372.88	Calculated Property
Pvap	138.72	kPa	386.56	Calculated Property
Pvap	202.65	kPa	400.24	Calculated Property
Pvap	[5.58e-05; 3498.61]	kPa	[182.00; 554.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.03053e+02
Coefficient B			-8.05774e+03
Coefficient C			-1.32459e+01
Coefficient D			1.08452e-05
Temperature range, min.			182.00
Temperature range, max.			554.00
Pvap	5.58e-05	kPa	182.00	Calculated Property
Pvap	0.02	kPa	223.33	Calculated Property
Pvap	0.59	kPa	264.67	Calculated Property
Pvap	6.83	kPa	306.00	Calculated Property
Pvap	39.25	kPa	347.33	Calculated Property
Pvap	145.13	kPa	388.67	Calculated Property
Pvap	402.94	kPa	430.00	Calculated Property
Pvap	925.58	kPa	471.33	Calculated Property
Pvap	1875.04	kPa	512.67	Calculated Property
Pvap	3498.61	kPa	554.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanal.

Mixtures

• Pentanal + Water
• Pentanal + 1-Propanol, 2-methyl- + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
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• Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction
• Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-hexyl-1,4-diaza[2.2.2]bicyclooctanium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography
• Liquid-Liquid Extraction of Biobased Isobutanol from an Aqueous Solution
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.