Chemical Properties of heptanol (CAS 53535-33-4)

InChI

InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChI Key

BBMCTIGTTCKYKF-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCCCCCCO

Molecular Weight¹

116.20

CAS

53535-33-4

Other Names

• heptan-1-ol

• 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).
• 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
ΔfG°	-128.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.04	kJ/mol	Joback Calculated Property
ΔfusH°	17.97	kJ/mol	Joback Calculated Property
ΔvapH°	47.86	kJ/mol	Joback Calculated Property
log10WS	-2.02		Crippen Calculated Property
logPoct/wat	1.949		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[935.00; 977.00]
Inp	959.50		NIST
Inp	959.00		NIST
Inp	958.20		NIST
Inp	957.70		NIST
Inp	959.50		NIST
Inp	959.00		NIST
Inp	958.20		NIST
Inp	957.70		NIST
Inp	942.00		NIST
Inp	964.00		NIST
Inp	951.00		NIST
Inp	968.00		NIST
Inp	974.00		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	949.00		NIST
Inp	959.50		NIST
Inp	959.50		NIST
Inp	949.00		NIST
Inp	950.00		NIST
Inp	957.00		NIST
Inp	Outlier 935.00		NIST
Inp	977.00		NIST
Inp	959.00		NIST
Inp	950.00		NIST
Inp	949.00		NIST
Inp	949.00		NIST
Inp	952.00		NIST
Inp	954.00		NIST
Inp	970.00		NIST
Inp	957.00		NIST
Inp	969.00		NIST
Inp	973.00		NIST
Inp	968.00		NIST
Inp	962.00		NIST
Inp	949.00		NIST
Inp	949.00		NIST
Inp	976.00		NIST
Inp	945.00		NIST
Inp	945.00		NIST
Inp	949.00		NIST
Inp	950.00		NIST
Inp	973.00		NIST
Inp	950.00		NIST
Inp	950.00		NIST
Inp	956.00		NIST
Inp	968.00		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	969.00		NIST
Inp	957.00		NIST
Inp	960.00		NIST
Inp	968.00		NIST
Inp	960.00		NIST
Inp	974.00		NIST
Inp	959.50		NIST
Inp	Outlier 935.00		NIST
Inp	964.00		NIST
Inp	950.00		NIST
I	[1419.00; 1484.00]
I	1469.00		NIST
I	1457.00		NIST
I	1458.00		NIST
I	1447.00		NIST
I	1439.00		NIST
I	1454.00		NIST
I	1447.00		NIST
I	1443.00		NIST
I	1439.00		NIST
I	1476.00		NIST
I	1456.00		NIST
I	1456.00		NIST
I	1456.00		NIST
I	1457.00		NIST
I	1457.00		NIST
I	1462.00		NIST
I	1480.00		NIST
I	1457.00		NIST
I	1457.00		NIST
I	1457.00		NIST
I	1475.00		NIST
I	1449.00		NIST
I	1454.00		NIST
I	1455.00		NIST
I	1447.00		NIST
I	Outlier 1419.00		NIST
I	Outlier 1484.00		NIST
I	1467.00		NIST
I	Outlier 1481.00		NIST
I	1447.00		NIST
I	1451.00		NIST
I	1453.00		NIST
I	1448.00		NIST
I	1466.00		NIST
I	1460.00		NIST
I	1453.00		NIST
I	1462.00		NIST
I	Outlier 1425.00		NIST
I	Outlier 1425.00		NIST
I	1446.00		NIST
I	1462.00		NIST
I	Outlier 1430.00		NIST
I	1459.00		NIST
I	1457.00		NIST
I	1460.00		NIST
I	1460.00		NIST
I	1458.00		NIST
I	1463.00		NIST
I	1463.00		NIST
I	1463.00		NIST
I	1439.00		NIST
I	1445.00		NIST
I	1463.00		NIST
I	1463.00		NIST
I	1457.00		NIST
I	1463.00		NIST
I	1463.00		NIST
I	1463.00		NIST
I	1467.00		NIST
I	1451.00		NIST
I	1457.00		NIST
I	1458.00		NIST
I	1443.00		NIST
I	1456.00		NIST
Tboil	451.74	K	Joback Calculated Property
Tc	612.20	K	Joback Calculated Property
Tfus	229.47	K	Joback Calculated Property
Vc	0.447	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.80; 305.68]	J/mol×K	[451.74; 612.20]
T(K) Ideal gas heat capacity (J/mol×K) 250 260 270 280 290 300 310 450 500 550 600
Cp,gas	247.80	J/mol×K	451.74	Joback Calculated Property
Cp,gas	258.38	J/mol×K	478.48	Joback Calculated Property
Cp,gas	268.58	J/mol×K	505.23	Joback Calculated Property
Cp,gas	278.39	J/mol×K	531.97	Joback Calculated Property
Cp,gas	287.84	J/mol×K	558.71	Joback Calculated Property
Cp,gas	296.94	J/mol×K	585.45	Joback Calculated Property
Cp,gas	305.68	J/mol×K	612.20	Joback Calculated Property
η	[0.0002110; 0.0673608]	Pa×s	[229.47; 451.74]
T(K) Dynamic viscosity (Pa×s) 0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 300 400
η	0.0673608	Pa×s	229.47	Joback Calculated Property
η	0.0132124	Pa×s	266.51	Joback Calculated Property
η	0.0038567	Pa×s	303.56	Joback Calculated Property
η	0.0014716	Pa×s	340.61	Joback Calculated Property
η	0.0006783	Pa×s	377.65	Joback Calculated Property
η	0.0003591	Pa×s	414.70	Joback Calculated Property
η	0.0002110	Pa×s	451.74	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[346.32; 436.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.09949e+01
Coefficient B			-5.80438e+03
Coefficient C			-6.60140e+01
Temperature range, min.			346.32
Temperature range, max.			436.11
T(K) Vapor pressure (kPa) 0 50 100 150 200 360 380 400 420
Pvap	1.33	kPa	346.32	Calculated Property
Pvap	2.72	kPa	356.30	Calculated Property
Pvap	5.28	kPa	366.27	Calculated Property
Pvap	9.83	kPa	376.25	Calculated Property
Pvap	17.61	kPa	386.23	Calculated Property
Pvap	30.45	kPa	396.20	Calculated Property
Pvap	50.98	kPa	406.18	Calculated Property
Pvap	82.91	kPa	416.16	Calculated Property
Pvap	131.23	kPa	426.13	Calculated Property
Pvap	202.64	kPa	436.11	Calculated Property

Similar Compounds

Find more compounds similar to heptanol.

Sources

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

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